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om_VgrpF_4xn","nbnxn_kernel_ElecRF_VdwLJCombLB_F_4xn","nbnxn_kernel_ElecRF_VdwLJCombLB_VF_4xn","nbnxn_kernel_ElecRF_VdwLJCombLB_VgrpF_4xn","nbnxn_kernel_ElecRF_VdwLJEwCombGeom_F_4xn","nbnxn_kernel_ElecRF_VdwLJEwCombGeom_F_ref","nbnxn_kernel_ElecRF_VdwLJEwCombGeom_VF_4xn","nbnxn_kernel_ElecRF_VdwLJEwCombGeom_VF_ref","nbnxn_kernel_ElecRF_VdwLJEwCombGeom_VgrpF_4xn","nbnxn_kernel_ElecRF_VdwLJEwCombGeom_VgrpF_ref","nbnxn_kernel_ElecRF_VdwLJEwCombLB_F_ref","nbnxn_kernel_ElecRF_VdwLJEwCombLB_VF_ref","nbnxn_kernel_ElecRF_VdwLJEwCombLB_VgrpF_ref","nbnxn_kernel_ElecRF_VdwLJFSw_F_4xn","nbnxn_kernel_ElecRF_VdwLJFSw_VF_4xn","nbnxn_kernel_ElecRF_VdwLJFSw_VgrpF_4xn","nbnxn_kernel_ElecRF_VdwLJFsw_F_ref","nbnxn_kernel_ElecRF_VdwLJFsw_VF_ref","nbnxn_kernel_ElecRF_VdwLJFsw_VgrpF_ref","nbnxn_kernel_ElecRF_VdwLJPSw_F_4xn","nbnxn_kernel_ElecRF_VdwLJPSw_VF_4xn","nbnxn_kernel_ElecRF_VdwLJPSw_VgrpF_4xn","nbnxn_kernel_ElecRF_VdwLJPsw_F_ref","nbnxn_kernel_ElecRF_VdwLJPsw_VF_ref","nbnxn_kernel_ElecRF_VdwLJPsw_VgrpF_ref","nbnxn_kernel_ElecRF_VdwLJ_F_4xn","nbnxn_kernel_ElecRF_VdwLJ_F_ref","nbnxn_kernel_ElecRF_VdwLJ_VF_4xn","nbnxn_kernel_ElecRF_VdwLJ_VF_ref","nbnxn_kernel_ElecRF_VdwLJ_VgrpF_4xn","nbnxn_kernel_ElecRF_VdwLJ_VgrpF_ref","nbnxn_kernel_gpu_ref","nbnxn_kernel_pairlist_simple","nbnxn_kernel_ref","nbnxn_kernel_simd_2xnn","nbnxn_kernel_simd_4xn","nbnxn_kernel_to_cj_size","nbnxn_make_pairlist","nbnxn_make_pairlist_part","nbnxn_put_on_grid","nbnxn_put_on_grid_nonlocal","nbnxn_realloc_void","nbnxn_set_atomorder","ncg_mtop","ndec2prec","ndof_com","nenum","new","new[]","new_blocka","new_clustid","new_data","new_i_nblist","new_status","nframes_read","nice","nice_header","nm2type","no_buffers","norm_and_scale_vectors","normalize_acf","normalize_histo","normalize_probability","nosehoover_tcoupl","nrand48","nrnb_comp","nrnb_str","ns","ns_qmmm","ns_realloc_natoms","nsc_dclm_pbc","nsgrid_core","numerical_deriv","ocomp","open_dhdl","open_enx","open_pdo_pipe","open_symtab","open_tpx","open_trn","open_trx","open_xtc","opendir","opt2bSet","opt2fn","opt2fn_master","opt2fn_null","opt2fns","opt2parg_bSet","opt2parg_bool","opt2parg_enum","opt2parg_int","opt2parg_real","opt2parg_str","opt_angle_analytic","order_plot","orient_princ","orires","output_env_conv_time","output_env_conv_times","output_env_done","output_env_get_cmd_line","output_env_get_debug_level","output_env_get_print_xvgr_codes","output_env_get_program_name","output_env_get_short_program_name","output_env_get_time_factor","output_env_get_time_invfactor","output_env_get_time_label","output_env_get_time_unit","output_env_get_verbosity","output_env_get_view","output_env_get_xvg_format","output_env_get_xvgr_tlabel","output_env_init","output_env_init_default","over_alloc_dd","p_graph","p_integrate","parrinellorahman_pcoupl","parse_common_args","parse_digits_from_plain_string","parse_entry","parse_file_args","parsestring","pbc_correct_gem","pbc_dx","pbc_dx_aiuc","pbc_dx_d","pclose","pcomp","pcouple_min_integration_steps","pdb2top","pdb_legend","pdbf_comp","pdbicomp","pdihs","pdihs_noener_simd","pdo_close_file","periodic_convolution","perror","pfree","please_cite","plot_density","plot_potential","plumed_cmd","plumed_create","plumed_finalize","plumed_installed","pmalloc","pmalloc_wc","pme_load_balance","pme_load_estimate","pme_loadbal_done","pme_loadbal_init","pme_realloc_atomcomm_things","pmegrids_init","polarize","popen","posix_memalign","posres","post_process_forces","pot","pow","pow_scalar","powerspectavg","powerspectavg_intf","pprms","pr_alloc","pr_atoms","pr_atomtypes","pr_bb","pr_block","pr_blocka","pr_bvec","pr_commrec","pr_cosine","pr_dlist","pr_doubles","pr_dvec","pr_ebin","pr_energy","pr_expandedvals","pr_fepvals","pr_ffparams","pr_forcerec","pr_grp_opts","pr_header","pr_idef","pr_ilist","pr_imd","pr_indent","pr_inputrec","pr_int64","pr_iparams","pr_ivec","pr_ivec_block","pr_ivecs","pr_load","pr_matrix","pr_moltype","pr_mtop","pr_ntr_s2","pr_one_ro","pr_pull","pr_qm_opts","pr_reals","pr_reals_of_dim","pr_rot","pr_rvec","pr_rvecs","pr_rvecs_len","pr_rvecs_of_dim","pr_simtempvals","pr_swap","pr_symtab","pr_title","pr_title_n","pr_title_nxn","pr_top","pr_trans","pr_trnheader","prec2ndec","predict_shells","prepare_dftb","preq","preserve_box_shape","principal_comp","print_ab","print_and_integrate","print_at","print_atoms","print_blocka","print_bondeds","print_bt","print_cg_move","print_date_and_time","print_dd_settings","print_dd_statistics","print_dir","print_ebin","print_ebin_header","print_excl","print_flop","print_grid","print_histograms","print_m4","print_nblist_statistics_simple","print_nblist_statistics_supersub","print_nrnb","print_one","print_orires_log","print_perf","print_replica_exchange_statistics","print_resall","print_resall_header","print_start","print_sums","print_time","print_time_difference","print_top_comment","print_top_header","print_top_mols","print_v4","printcmap","printf","printmol","process_chain","process_directive","prof_normalization_and_unit","project","projec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omdec_t","gmx_dos","gmx_dump","gmx_dyecoupl","gmx_dyndom","gmx_editconf","gmx_edsam::gmx_edsam","gmx_edsam::~gmx_edsam","gmx_edx::gmx_edx","gmx_eneconv","gmx_enemat","gmx_energy","gmx_enfrot::gmx_enfrot","gmx_enfrot::~gmx_enfrot","gmx_enfrotgrp::gmx_enfrotgrp","gmx_enfrotgrp::~gmx_enfrotgrp","gmx_espresso_read_conf","gmx_exit_on_fatal_error","gmx_fatal","gmx_fatal_collective","gmx_fatal_mpi_va","gmx_fatal_set_log_file","gmx_fedisableexcept","gmx_feenableexcept","gmx_fexist","gmx_ffclose","gmx_ffopen","gmx_ffparams_t::gmx_ffparams_t","gmx_ffparams_t::numTypes","gmx_ffparams_t::~gmx_ffparams_t","gmx_fft_1d","gmx_fft_1d_real","gmx_fft_2d_real","gmx_fft_cleanup","gmx_fft_destroy","gmx_fft_init_1d","gmx_fft_init_1d_real","gmx_fft_init_2d_real","gmx_fft_init_many_1d","gmx_fft_init_many_1d_real","gmx_fft_many_1d","gmx_fft_many_1d_real","gmx_file_copy","gmx_file_position_t::gmx_file_position_t","gmx_file_rename","gmx_fill_commrec_from_mpi","gmx_filter","gmx_fio_all_output_fsync","gmx_fio_check_nitem","gmx_fio_close","gmx_fio_close_locked","gmx_fio_doe_double","gmx_fio_doe_float","gmx_fio_doe_gmx_bool","gmx_fio_doe_int","gmx_fio_doe_int64","gmx_fio_doe_ivec","gmx_fio_doe_real","gmx_fio_doe_rvec","gmx_fio_doe_string","gmx_fio_doe_uchar","gmx_fio_doe_ushort","gmx_fio_fclose","gmx_fio_fe","gmx_fio_flush","gmx_fio_fopen","gmx_fio_fp_close","gmx_fio_fsync","gmx_fio_ftell","gmx_fio_get_file_md5","gmx_fio_get_first","gmx_fio_get_next","gmx_fio_get_output_file_positions","gmx_fio_getfp","gmx_fio_getftp","gmx_fio_getname","gmx_fio_getread","gmx_fio_getxdr","gmx_fio_insert","gmx_fio_int_flush","gmx_fio_int_fsync","gmx_fio_int_get_file_md5","gmx_fio_int_get_file_position","gmx_fio_lock","gmx_fio_make_dummy","gmx_fio_ndoe_double","gmx_fio_ndoe_float","gmx_fio_ndoe_gmx_bool","gmx_fio_ndoe_int","gmx_fio_ndoe_int64","gmx_fio_ndoe_ivec","gmx_fio_ndoe_real","gmx_fio_ndoe_rvec","gmx_fio_ndoe_string","gmx_fio_ndoe_uchar","gmx_fio_ndoe_ushort","gmx_fio_open","gmx_fio_remove","gmx_fio_rewind","gmx_fio_seek","gmx_fio_setprecision","gmx_fio_stop_getting_next","gmx_fio_unlock","gmx_fio_writee_string","gmx_fopen_temporary","gmx_format_current_time","gmx_fprintf_pdb_atomline","gmx_fprintf_pqr_atomline","gmx_fseek","gmx_fsync","gmx_ftell","gmx_fwrite_tng","gmx_g_angle","gmx_ga2la_t::Data::Data","gmx_ga2la_t::Data::~Data","gmx_ga2la_t::clear","gmx_ga2la_t::erase","gmx_ga2la_t::find","gmx_ga2la_t::findHome","gmx_ga2la_t::gmx_ga2la_t","gmx_ga2la_t::insert","gmx_genconf","gmx_genion","gmx_genpr","gmx_get_signal_name","gmx_get_stop_condition","gmx_get_tng_data_block_types_of_next_frame","gmx_get_tng_data_next_frame_of_block_type","gmx_getcwd","gmx_gethostname","gmx_getpid","gmx_gettime","gmx_gettime_per_thread","gmx_getuid","gmx_getusername","gmx_got_usr_signal","gmx_greatest_common_divisor","gmx_gro_read_conf","gmx_grompp","gmx_gyrate","gmx_h2order","gmx_hbond","gmx_helix","gmx_helixorient","gmx_hw_opt_t::gmx_hw_opt_t","gmx_hw_opt_t::operator=","gmx_hw_opt_t::~gmx_hw_opt_t","gmx_hydorder","gmx_init_debug","gmx_is_single_precision","gmx_lie","gmx_lmcurve","gmx_load_simd_2xnn_interactions","gmx_load_simd_4xn_interactions","gmx_make_edi","gmx_make_ndx","gmx_many_fft_destroy","gmx_mat4_copy","gmx_mat4_init_rotation","gmx_mat4_init_translation","gmx_mat4_init_unity","gmx_mat4_mmul","gmx_mat4_print","gmx_mat4_transform_point","gmx_md5_append","gmx_md5_finish","gmx_md5_init","gmx_mdmat","gmx_mindist","gmx_mk_angndx","gmx_mm256_any_lt","gmx_mm256_calc_rsq_ps","gmx_mm256_decrement_1rvec_8ptr_swizzle_ps","gmx_mm256_decrement_3rvec_8ptr_swizzle_ps","gmx_mm256_decrement_4rvec_8ptr_swizzle_ps","gmx_mm256_load_1rvec_8ptr_swizzle_ps","gmx_mm256_load_3rvec_8ptr_swizzle_ps","gmx_mm256_load_4pair_swizzle_ps","gmx_mm256_load_4real_swizzle_ps","gmx_mm256_load_4rvec_8ptr_swizzle_ps","gmx_mm256_load_8pair_swizzle_ps","gmx_mm256_load_8real_swizzle_ps","gmx_mm256_load_shift_and_1rvec_broadcast_ps","gmx_mm256_load_shift_and_3rvec_broadcast_ps","gmx_mm256_load_shift_and_4rvec_broadcast_ps","gmx_mm256_set_m128","gmx_mm256_unpack128hi_ps","gmx_mm256_unpack128lo_ps","gmx_mm256_update_1pot_ps","gmx_mm256_update_iforce_1atom_swizzle_ps","gmx_mm256_update_iforce_3atom_swizzle_ps","gmx_mm256_update_iforce_4atom_swizzle_ps","gmx_molblock_t::gmx_molblock_t","gmx_molblock_t::operator=","gmx_molblock_t::~gmx_molblock_t","gmx_moltype_t::gmx_moltype_t","gmx_moltype_t::~gmx_moltype_t","gmx_morph","gmx_mpi_initialized","gmx_msd","gmx_mtop_atomloop_all_destroy","gmx_mtop_atomloop_all_init","gmx_mtop_atomloop_all_moltype","gmx_mtop_atomloop_all_names","gmx_mtop_atomloop_all_next","gmx_mtop_atomloop_block_destroy","gmx_mtop_atomloop_block_init","gmx_mtop_atomloop_block_next","gmx_mtop_bondeds_free_energy","gmx_mtop_count_atomtypes","gmx_mtop_finalize","gmx_mtop_ftype_count","gmx_mtop_generate_local_top","gmx_mtop_global_atoms","gmx_mtop_global_cgs","gmx_mtop_has_atomtypes","gmx_mtop_has_charges","gmx_mtop_has_masses","gmx_mtop_has_pdbinfo","gmx_mtop_has_perturbed_charges","gmx_mtop_ilistlo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","gmx_pme_do_dftb","gmx_pme_do_dftb_mm_forces","gmx_pme_error","gmx_pme_init","gmx_pme_init_dftb","gmx_pme_pp_init","gmx_pme_receive_f","gmx_pme_recv_coeffs_coords","gmx_pme_reinit","gmx_pme_send_coordinates","gmx_pme_send_finish","gmx_pme_send_force_vir_ener","gmx_pme_send_parameters","gmx_pme_send_resetcounters","gmx_pme_send_switchgrid","gmx_pmeonly","gmx_pmeonlynode","gmx_polystat","gmx_potential","gmx_prepare_tng_writing","gmx_principal","gmx_print_sepdvdl","gmx_print_tng_molecule_system","gmx_protonate","gmx_qsort","gmx_rama","gmx_rdf","gmx_read_next_tng_frame","gmx_residuetype_add","gmx_residuetype_destroy","gmx_residuetype_get_alltypes","gmx_residuetype_get_index","gmx_residuetype_get_name","gmx_residuetype_get_size","gmx_residuetype_get_type","gmx_residuetype_init","gmx_residuetype_is_dna","gmx_residuetype_is_protein","gmx_residuetype_is_rna","gmx_rmpbc","gmx_rmpbc_copy","gmx_rmpbc_done","gmx_rmpbc_init","gmx_rmpbc_trxfr","gmx_rms","gmx_rmsdist","gmx_rmsf","gmx_rng_cycle_2uniform","gmx_rng_cycle_3gaussian_table","gmx_rng_cycle_6gaussian_table","gmx_rng_destroy","gmx_rng_gaussian_real","gmx_rng_gaussian_table","gmx_rng_get_state","gmx_rng_init","gmx_rng_init_array","gmx_rng_make_seed","gmx_rng_n","gmx_rng_set_state","gmx_rng_uniform_real","gmx_rng_uniform_uint32","gmx_rotacf","gmx_rotmat","gmx_run_cmain","gmx_saltbr","gmx_sans","gmx_sans_init","gmx_saxs","gmx_select_gpu_ids","gmx_set_stop_condition","gmx_set_thread_affinity","gmx_setup_nodecomm","gmx_sham","gmx_sigeps","gmx_solvate","gmx_sorient","gmx_sort_ilist_fe","gmx_sparsematrix_compress","gmx_sparsematrix_destroy","gmx_sparsematrix_increment_value","gmx_sparsematrix_init","gmx_sparsematrix_print","gmx_sparsematrix_value","gmx_sparsematrix_vector_multiply","gmx_spatial","gmx_spol","gmx_stats_add_point","gmx_stats_add_points","gmx_stats_done","gmx_stats_dump_xy","gmx_stats_get_a","gmx_stats_get_ab","gmx_stats_get_ase","gmx_stats_get_average","gmx_stats_get_corr_coeff","gmx_stats_get_error","gmx_stats_get_npoints","gmx_stats_get_point","gmx_stats_get_rmsd","gmx_stats_get_sigma","gmx_stats_init","gmx_stats_make_histogram","gmx_stats_message","gmx_stats_remove_outliers","gmx_step_str","gmx_strcasecmp","gmx_strcasecmp_min","gmx_strdup","gmx_strerror","gmx_string_fullhash_func","gmx_string_hash_func","gmx_strncasecmp","gmx_strncasecmp_min","gmx_strndup","gmx_structurefactors_done","gmx_structurefactors_get_sf","gmx_structurefactors_init","gmx_structurefactors_table","gmx_sum_qgrid_dd","gmx_sumd","gmx_sumd_sim","gmx_sumf","gmx_sumf_sim","gmx_sumi","gmx_sumi_sim","gmx_sumli","gmx_sumli_sim","gmx_tcaf","gmx_thanx","gmx_tmpnam","gmx_tng_add_mtop","gmx_tng_close","gmx_tng_get_time_of_final_frame","gmx_tng_open","gmx_tng_prepare_low_prec_writing","gmx_tng_prepare_md_writing","gmx_tng_set_compression_precision","gmx_tng_setup_atom_subgroup","gmx_traj","gmx_trjcat","gmx_trjconv","gmx_trjorder","gmx_truncatefile","gmx_tune_pme","gmx_vanhove","gmx_velacc","gmx_version","gmx_version_git_central_base_hash","gmx_version_git_full_hash","gmx_view","gmx_warning","gmx_wcmatch","gmx_wham","gmx_wheel","gmx_within_tol","gmx_write_pdb_box","gmx_write_tng_from_trxframe","gmx_x2top","gmx_xpm2ps","gmxlibfn","gradient_map","gradient_mat","grid_first","grid_last","gro_first_x_or_v","gro_next_x_or_v","guessPotByIntegration","guess_ePBC","h2order_plot","harmonic","has_dihedral","histogram","histogramming","icell_set_x_simd_4xn","icell_set_x_simple","icell_set_x_supersub_simd4","ico_dot_arc","ico_dot_dod","icomp","icosaeder_vertices","idcomp","idihs","ifunc_index","image_cylindric","image_rect","imd_sock_listen","imd_tryconnect","imdsock_accept","imdsock_bind","imdsock_create","imdsock_destroy","imdsock_getport","imdsock_read","imdsock_shutdown","imdsock_tryread","imdsock_write","initUmbrellaWindows","init_IMD","init_QMMMrec","init_QMroutine","init_adir","init_atom","init_atomcomm","init_atomtype","init_atomtypes","init_block","init_block2","init_blocka","init_bond_atomtype","init_bufstate","init_cginfo_mb","init_cmap_grid","init_commrec","init_constraints","init_corr","init_ddpme","init_debug","init_df_history","init_dftb","init_disres","init_domain_decomposition","init_domdec_constraints","init_domdec_vsites","init_edi","init_edsam","init_edx","init_ekindata","init_ekinstate","init_em","init_enerdata","init_energyhistory","init_enxframe","init_ewald_tab","init_expanded_ensemble","init_forcerec","init_gb","init_gemParams","init_generalized_rf","init_global_signals","init_grid","init_groups","init_gtc_state","init_index","init_inputrec","init_inputrec_strings","init_interaction_const","init_interaction_const_tables","init_ir","init_lincs","init_mat","init_md","init_mdatoms","init_mdebin","init_mdoutf","init_membed","init_molinfo","init_mtop","init_multisystem","init_nb_verlet","init_neighbor_list","init_nlistheuristics","init_nnb","init_npt_masses","init_npt_vars","init_nrnb","init_ns","init_orires","init_overlap_comm","init_parallel","init_plist","init_pull","init_rama","init_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llCompletionWriter","gmx::SimpleHelpTopic","gmx::SimulationInstabilityError::errorCode","gmx::SimulationInstabilityError::~SimulationInstabilityError","gmx::StringOption::createStorage","gmx::StringOption::~StringOption","gmx::StringOptionInfo::StringOptionInfo","gmx::StringOptionInfo::allowedValues","gmx::StringOptionInfo::isEnumerated","gmx::StringOptionInfo::option","gmx::StringOptionInfo::~StringOptionInfo","gmx::StringOptionStorage::StringOptionStorage","gmx::StringOptionStorage::convertValue","gmx::StringOptionStorage::formatExtraDescription","gmx::StringOptionStorage::formatSingleValue","gmx::StringOptionStorage::optionInfo","gmx::StringOptionStorage::refreshValues","gmx::StringOptionStorage::typeString","gmx::StringOptionStorage::~StringOptionStorage","gmx::TextLineWrapper::findNextLine","gmx::TextLineWrapper::formatLine","gmx::TextLineWrapper::wrapToString","gmx::TextLineWrapper::wrapToVector","gmx::TextLineWrapperSettings::TextLineWrapperSettings","gmx::TextTableFormatter::Impl::ColumnData::~ColumnData","gmx::TextTableFormatter::Impl::Impl","gmx::TextTableFormatter::TextTableFormatter","gmx::TextTableFormatter::addColumn","gmx::TextTableFormatter::addColumnHelpTextBlock","gmx::TextTableFormatter::addColumnLine","gmx::TextTableFormatter::clear","gmx::TextTableFormatter::didOutput","gmx::TextTableFormatter::formatRow","gmx::TextTableFormatter::setColumnFirstLineOffset","gmx::TextTableFormatter::setFirstColumnIndent","gmx::TextTableFormatter::setFoldLastColumnToNextLine","gmx::TextTableFormatter::~TextTableFormatter","gmx::TimeUnitManager::TimeUnitManager","gmx::TimeUnitManager::addTimeUnitOption","gmx::TimeUnitManager::inverseTimeScaleFactor","gmx::TimeUnitManager::scaleTimeOptions","gmx::TimeUnitManager::setTimeUnit","gmx::TimeUnitManager::timeScaleFactor","gmx::TimeUnitManager::timeUnitAsString","gmx::TopologyInformation::TopologyInformation","gmx::TopologyInformation::getTopologyConf","gmx::TopologyInformation::~TopologyInformation","gmx::TrajectoryAnalysisCommandLineRunner::Impl::Impl","gmx::TrajectoryAnalysisCommandLineRunner::Impl::RunnerCommandLineModule::name","gmx::TrajectoryAnalysisCommandLineRunner::Impl::RunnerCommandLineModule::run","gmx::TrajectoryAnalysisCommandLineRunner::Impl::RunnerCommandLineModule::shortDescription","gmx::TrajectoryAnalysisCommandLineRunner::Impl::RunnerCommandLineModule::writeHelp","gmx::TrajectoryAnalysisCommandLineRunner::Impl::RunnerCommandLineModule::~RunnerCommandLineModule","gmx::TrajectoryAnalysisCommandLineRunner::Impl::parseOptions","gmx::TrajectoryAnalysisCommandLineRunner::Impl::~Impl","gmx::TrajectoryAnalysisCommandLineRunner::TrajectoryAnalysisCommandLineRunner","gmx::TrajectoryAnalysisCommandLineRunner::registerModule","gmx::TrajectoryAnalysisCommandLineRunner::run","gmx::TrajectoryAnalysisCommandLineRunner::runAsMain","gmx::TrajectoryAnalysisCommandLineRunner::setSelectionDebugLevel","gmx::TrajectoryAnalysisCommandLineRunner::setUseDefaultGroups","gmx::TrajectoryAnalysisCommandLineRunner::writeHelp","gmx::TrajectoryAnalysisCommandLineRunner::~TrajectoryAnalysisCommandLineRunner","gmx::TrajectoryAnalysisModule::TrajectoryAnalysisModule","gmx::TrajectoryAnalysisModule::datasetCount","gmx::TrajectoryAnalysisModule::datasetFromIndex","gmx::TrajectoryAnalysisModule::datasetFromName","gmx::TrajectoryAnalysisModule::datasetNames","gmx::TrajectoryAnalysisModule::description","gmx::TrajectoryAnalysisModule::finishFrames","gmx::TrajectoryAnalysisModule::initAfterFirstFrame","gmx::TrajectoryAnalysisModule::name","gmx::TrajectoryAnalysisModule::optionsFinished","gmx::TrajectoryAnalysisModule::registerAnalysisDataset","gmx::TrajectoryAnalysisModule::registerBasicDataset","gmx::TrajectoryAnalysisModule::startFrames","gmx::TrajectoryAnalysisModule::~TrajectoryAnalysisModule","gmx::TrajectoryAnalysisModuleData::Impl::Impl","gmx::TrajectoryAnalysisModuleData::Impl::isInitialized","gmx::TrajectoryAnalysisModuleData::TrajectoryAnalysisModuleData","gmx::TrajectoryAnalysisModuleData::dataHandle","gmx::TrajectoryAnalysisModuleData::finishDataHandles","gmx::TrajectoryAnalysisModuleData::parallelSelection","gmx::TrajectoryAnalysisModuleData::parallelSelections","gmx::TrajectoryAnalysisModuleData::~TrajectoryAnalysisModuleData","gmx::TrajectoryAnalysisRunnerCommon::Impl::Impl","gmx::TrajectoryAnalysisRunnerCommon::Impl::finishTrajectory","gmx::TrajectoryAnalysisRunnerCommon::Impl::~Impl","gmx::TrajectoryAnalysisRunnerCommon::TrajectoryAnalysisRunnerCommon","gmx::TrajectoryAnalysisRunnerCommon::doneIndexGroups","gmx::TrajectoryAnalysisRunnerCommon::frame","gmx::TrajectoryAnalysisRunnerCommon::hasTrajectory","gmx::TrajectoryAnalysisRunnerCommon::initFirstFrame","gmx::TrajectoryAnalysisRunnerCommon::initFrame","gmx::TrajectoryAnalysisRunnerCommon::initIndexGroups","gmx::TrajectoryAnalysisRunnerCommon::initOptions","gmx::TrajectoryAnalysisRunnerCommon::initTopology","gmx::TrajectoryAnalysisRunnerCommon::optionsFinished","gmx::TrajectoryAnalysisRunnerCommon::readNextFrame","gm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","R3dDisplayDevice::triangle","R3dDisplayDevice::tricolor","R3dDisplayDevice::write_header","R3dDisplayDevice::write_materials","R3dDisplayDevice::write_trailer","R3dDisplayDevice::~R3dDisplayDevice","RadianceDisplayDevice::RadianceDisplayDevice","RadianceDisplayDevice::comment","RadianceDisplayDevice::cone_trunc","RadianceDisplayDevice::cylinder","RadianceDisplayDevice::line","RadianceDisplayDevice::point","RadianceDisplayDevice::reset_vars","RadianceDisplayDevice::set_color","RadianceDisplayDevice::sphere","RadianceDisplayDevice::square","RadianceDisplayDevice::triangle","RadianceDisplayDevice::write_header","RadianceDisplayDevice::write_trailer","RadianceDisplayDevice::~RadianceDisplayDevice","RayShadeDisplayDevice::RayShadeDisplayDevice","RayShadeDisplayDevice::comment","RayShadeDisplayDevice::cone","RayShadeDisplayDevice::cylinder","RayShadeDisplayDevice::line","RayShadeDisplayDevice::point","RayShadeDisplayDevice::scale_fix","RayShadeDisplayDevice::sphere","RayShadeDisplayDevice::triangle","RayShadeDisplayDevice::write_cindexmaterial","RayShadeDisplayDevice::write_colormaterial","RayShadeDisplayDevice::write_header","RayShadeDisplayDevice::write_trailer","RayShadeDisplayDevice::~RayShadeDisplayDevice","Raypnt","ReadChars","RebuildLiteralTable","RecycleBuffer","RefineApproximation","ReflectBlock","ReflectClose","ReflectGetOption","ReflectInput","ReflectOutput","ReflectSeek","ReflectSeekWide","ReflectSetOption","ReflectWatch","RegExpExecUniChar","ReleaseKeys","RememberSyncObject","RenderManDisplayDevice::RenderManDisplayDevice","RenderManDisplayDevice::comment","RenderManDisplayDevice::cone","RenderManDisplayDevice::cylinder","RenderManDisplayDevice::cylinder_noxfrm","RenderManDisplayDevice::line","RenderManDisplayDevice::point","RenderManDisplayDevice::reset_vars","RenderManDisplayDevice::sphere","RenderManDisplayDevice::square","RenderManDisplayDevice::text","RenderManDisplayDevice::triangle","RenderManDisplayDevice::tricolor","RenderManDisplayDevice::trimesh_c4n3v3","RenderManDisplayDevice::trimesh_c4u_n3b_v3f","RenderManDisplayDevice::tristrip","RenderManDisplayDevice::write_header","RenderManDisplayDevice::write_materials","RenderManDisplayDevice::write_trailer","RenderManDisplayDevice::~RenderManDisplayDevice","ReplaceString","ResetImages","ResetObjResult","ResizeArray","RunLimitHandlers","STLDisplayDevice::STLDisplayDevice","STLDisplayDevice::triangle","STLDisplayDevice::write_header","STLDisplayDevice::write_trailer","STLDisplayDevice::~STLDisplayDevice","SafeLdExp","ScanNumber","Scene::Scene","Scene::activate_adv_light","Scene::activate_light","Scene::add_color_category","Scene::add_color_item","Scene::adv_light_attenuation","Scene::adv_light_color","Scene::adv_light_color_default","Scene::adv_light_get_attenuation","Scene::adv_light_get_spotlight","Scene::adv_light_pos","Scene::adv_light_pos_default","Scene::adv_light_spotlight","Scene::background_mode","Scene::category_item_value","Scene::create_colorscale","Scene::define_adv_light","Scene::define_light","Scene::draw","Scene::draw_finished","Scene::filedraw","Scene::get_colorscale_colors","Scene::light_color","Scene::light_color_default","Scene::light_pos","Scene::light_pos_default","Scene::move_adv_light","Scene::move_light","Scene::nearest_index","Scene::prepare","Scene::reset_lights","Scene::rotate_light","Scene::set_background_mode","Scene::set_colorscale_colors","Scene::~Scene","SearchKnownEncodings","SelectObjFromSublist","SensorConfig::ScanSensorFiles","SensorConfig::SensorConfig","SensorConfig::getUSL","SensorConfig::getdevice","SensorConfig::getfloat","SensorConfig::getleft_rot","SensorConfig::getmaxforce","SensorConfig::getname","SensorConfig::getnames","SensorConfig::getnums","SensorConfig::getoffset","SensorConfig::getplace","SensorConfig::getright_rot","SensorConfig::getscale","SensorConfig::getsensors","SensorConfig::gettype","SensorConfig::have_one_sensor","SensorConfig::make_vrpn_address","SensorConfig::needargs","SensorConfig::parseUSL","SensorConfig::parseconfigfordevice","SensorConfig::parseconfigfornames","SensorConfig::read_sensor_nums","SensorConfig::require_cave_name","SensorConfig::require_freevr_name","SensorConfig::require_local","SensorConfig::~SensorConfig","SetArraySearchObj","SetBlockMode","SetBooleanFromAny","SetByteArrayFromAny","SetByteCodeFromAny","SetCmdNameFromAny","SetDictFromAny","SetDoubleFromAny","SetEndOffsetFromAny","SetFsPathFromAny","SetGroupAttribute","SetIndexFromAny","SetIntFromAny","SetLambdaFromAny","SetListFromAny","SetNsNameFromAny","SetOwnerAttribute","SetPermissionsAttribute","SetRegexpFromAny","SetResultLength","SetScriptLimitCallback","SetStringFromAny","Set_Colour","SetupStdFile","SkipToChar","SlaveBgerror","SlaveCommandLimitCmd","SlaveCreate","SlaveEval","SlaveExpose","SlaveHidden","SlaveHide","SlaveInvokeHidden","SlaveMarkTrusted","SlaveObjCmd","SlaveObjCmdDeleteProc","SlaveRecursionLimit","SlaveTimeLimitCmd","SmallRingLinkages::~SmallRingLinkages","SnapshotDisplayDevice::SnapshotDisp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Option::setDescription","gmx::AbstractOption::setFlag","gmx::AbstractOption::setStoreIsSet","gmx::AbstractOption::setVector","gmx::AbstractOption::~AbstractOption","gmx::AbstractOptionSection::AbstractOptionSection","gmx::AbstractOptionSection::~AbstractOptionSection","gmx::AbstractOptionSectionHandle::AbstractOptionSectionHandle","gmx::AbstractOptionSectionHandle::addGroup","gmx::AbstractOptionSectionHandle::addOptionImpl","gmx::AbstractOptionSectionHandle::addSectionImpl","gmx::AbstractOptionSectionHandle::getStorage","gmx::AbstractOptionSectionHandle::~AbstractOptionSectionHandle","gmx::AbstractOptionSectionInfo::AbstractOptionSectionInfo","gmx::AbstractOptionSectionInfo::name","gmx::AbstractOptionSectionInfo::section","gmx::AbstractOptionStorage::AbstractOptionStorage","gmx::AbstractOptionStorage::appendValue","gmx::AbstractOptionStorage::clearFlag","gmx::AbstractOptionStorage::defaultValueIfSetExists","gmx::AbstractOptionStorage::description","gmx::AbstractOptionStorage::finish","gmx::AbstractOptionStorage::finishSet","gmx::AbstractOptionStorage::formatExtraDescription","gmx::AbstractOptionStorage::hasFlag","gmx::AbstractOptionStorage::isBoolean","gmx::AbstractOptionStorage::isHidden","gmx::AbstractOptionStorage::isRequired","gmx::AbstractOptionStorage::isSet","gmx::AbstractOptionStorage::isVector","gmx::AbstractOptionStorage::markAsSet","gmx::AbstractOptionStorage::maxValueCount","gmx::AbstractOptionStorage::minValueCount","gmx::AbstractOptionStorage::name","gmx::AbstractOptionStorage::setFlag","gmx::AbstractOptionStorage::setMaxValueCount","gmx::AbstractOptionStorage::setMinValueCount","gmx::AbstractOptionStorage::startSet","gmx::AbstractOptionStorage::startSource","gmx::AbstractOptionStorage::~AbstractOptionStorage","gmx::AbstractPlotModule::AbstractPlotModule","gmx::AbstractPlotModule::Impl::Impl","gmx::AbstractPlotModule::Impl::closeFile","gmx::AbstractPlotModule::Impl::~Impl","gmx::AbstractPlotModule::appendLegend","gmx::AbstractPlotModule::dataFinished","gmx::AbstractPlotModule::dataStarted","gmx::AbstractPlotModule::flags","gmx::AbstractPlotModule::frameFinished","gmx::AbstractPlotModule::frameStarted","gmx::AbstractPlotModule::isFileOpen","gmx::AbstractPlotModule::setErrorsAsSeparateColumn","gmx::AbstractPlotModule::setFileName","gmx::AbstractPlotModule::setLegend","gmx::AbstractPlotModule::setOmitX","gmx::AbstractPlotModule::setPlainOutput","gmx::AbstractPlotModule::setSettings","gmx::AbstractPlotModule::setSubtitle","gmx::AbstractPlotModule::setTitle","gmx::AbstractPlotModule::setXAxisIsTime","gmx::AbstractPlotModule::setXFormat","gmx::AbstractPlotModule::setXLabel","gmx::AbstractPlotModule::setYFormat","gmx::AbstractPlotModule::setYLabel","gmx::AbstractPlotModule::writeValue","gmx::AbstractPlotModule::~AbstractPlotModule","gmx::AbstractSimpleHelpTopic::AbstractSimpleHelpTopic","gmx::AbstractSimpleHelpTopic::findSubTopic","gmx::AbstractSimpleHelpTopic::hasSubTopics","gmx::AbstractSimpleHelpTopic::writeHelp","gmx::AbstractSimpleHelpTopic::~AbstractSimpleHelpTopic","gmx::AlignedAllocationPolicy::AlignedAllocationPolicy","gmx::AlignedAllocationPolicy::alignment","gmx::AlignedAllocationPolicy::free","gmx::AlignedAllocationPolicy::malloc","gmx::Allocator","gmx::AnalysisData::AnalysisData","gmx::AnalysisData::Impl::Impl","gmx::AnalysisData::Impl::~Impl","gmx::AnalysisData::finishData","gmx::AnalysisData::finishFrameSerial","gmx::AnalysisData::frameCount","gmx::AnalysisData::requestStorageInternal","gmx::AnalysisData::setColumnCount","gmx::AnalysisData::setDataSetCount","gmx::AnalysisData::setMultipoint","gmx::AnalysisData::startData","gmx::AnalysisData::tryGetDataFrameInternal","gmx::AnalysisData::~AnalysisData","gmx::AnalysisDataAverageModule::AnalysisDataAverageModule","gmx::AnalysisDataAverageModule::Impl::Impl","gmx::AnalysisDataAverageModule::Impl::~Impl","gmx::AnalysisDataAverageModule::average","gmx::AnalysisDataAverageModule::dataFinished","gmx::AnalysisDataAverageModule::dataStarted","gmx::AnalysisDataAverageModule::flags","gmx::AnalysisDataAverageModule::frameFinished","gmx::AnalysisDataAverageModule::frameStarted","gmx::AnalysisDataAverageModule::pointsAdded","gmx::AnalysisDataAverageModule::sampleCount","gmx::AnalysisDataAverageModule::setAverageDataSets","gmx::AnalysisDataAverageModule::standardDeviation","gmx::AnalysisDataAverageModule::~AnalysisDataAverageModule","gmx::AnalysisDataBinAverageModule::AnalysisDataBinAverageModule","gmx::AnalysisDataBinAverageModule::Impl::Impl","gmx::AnalysisDataBinAverageModule::Impl::~Impl","gmx::AnalysisDataBinAverageModule::dataFinished","gmx::AnalysisDataBinAverageModule::dataStarted","gmx::AnalysisDataBinAverageModule::flags","gmx::AnalysisDataBinAverageModule::frameFinished","gmx::AnalysisDataBinAverageModule::frameStarted","gmx::AnalysisDataBinAverageModule::init","gmx::AnalysisDataBinAverageModule::pointsAdded","gmx::AnalysisDataBinAverageModule::settings","gmx::AnalysisDataBinAverageModule::~AnalysisDataBinAverageModule","gmx::AnalysisDataFra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ype","ftp2generic_count","ftp2generic_list","ftype_is_bonded_potential","func_wham_is_larger","fwrite","fwrite_trn","g96angles","g96bond_angle","g96bonds","g96harmonic","gather","gather_energy_bsplines","gather_f_bsplines","gausskernel","gb_bonds_tab","gen_local_top","gen_nnb","gen_pad","gen_rm_list","gen_sblocks","gen_vsites_6ring","gen_vsites_his","gen_vsites_phe","gen_vsites_trp","gen_vsites_tyr","genborn_allvsall_calc_chainrule","genborn_allvsall_calc_hct_obc_radii","genborn_allvsall_calc_still_radii","generate_excl","generate_excls","generate_gb_exclusion_interactions","generate_nbparams","generate_qmexcl","get","getFilenm","getRandomIntArray","get_a_line","get_acffitfn","get_acfnout","get_argtp","get_asptp","get_atomtype_S_hct","get_atomtype_atomnumber","get_atomtype_batype","get_atomtype_gb_radius","get_atomtype_massA","get_atomtype_massB","get_atomtype_name","get_atomtype_nbparam","get_atomtype_ntypes","get_atomtype_ptype","get_atomtype_qA","get_atomtype_qB","get_atomtype_radius","get_atomtype_surftens","get_atomtype_type","get_atomtype_vol","get_bond_atomtype_name","get_bond_atomtype_type","get_bt","get_center","get_center_comm","get_cg_distribution","get_chi_product_traj","get_current_cuda_gpu_device_id","get_ddb_angle","get_ddb_bond","get_ebin_space","get_eeenum","get_eenum","get_eint","get_eint64","get_electrons","get_enx_state","get_ereal","get_espresso_coordnum","get_estr","get_f_norm_max","get_file","get_glntp","get_glutp","get_gpu_device_id","get_gpu_device_info_string","get_hackblocks_rtp","get_header","get_histp","get_index","get_ir","get_lines","get_load_distribution","get_lystp","get_multisim_nsteps","get_nblocks","get_nsgrid_boundaries","get_nsgrid_boundaries_vac","get_nsubpair_target","get_params","get_pdb_atomnumber","get_pdb_coordnum","get_pme_ddnodes","get_pme_ener_vir_lj","get_pme_ener_vir_q","get_pme_nnodes","get_prop_index","get_pull_coord_dr","get_pull_coord_value","get_restp","get_sblock","get_slab_centers","get_specbonds","get_strings","get_structure","get_stx_coordnum","get_sum_of_positions","get_symtab_handle","get_verlet_buffer_atomtypes","get_vsite_masses","get_vsite_pbc","get_w_conf","get_warning_file","get_warning_line","get_zone_pulse_cgs","getc","getcmap","getcwd","getenv","gethostname","getlogin_r","getpid","getsockname","getuid","glatnr","global_stat","global_stat_destroy","global_stat_init","gmx::","gmx::APIError::errorCode","gmx::APIError::~APIError","gmx::AbstractAnalysisArrayData::AbstractAnalysisArrayData","gmx::AbstractAnalysisArrayData::allocateValues","gmx::AbstractAnalysisArrayData::copyContents","gmx::AbstractAnalysisArrayData::frameCount","gmx::AbstractAnalysisArrayData::requestStorageInternal","gmx::AbstractAnalysisArrayData::setColumnCount","gmx::AbstractAnalysisArrayData::setRowCount","gmx::AbstractAnalysisArrayData::setXAxis","gmx::AbstractAnalysisArrayData::setXAxisValue","gmx::AbstractAnalysisArrayData::tryGetDataFrameInternal","gmx::AbstractAnalysisArrayData::valuesReady","gmx::AbstractAnalysisArrayData::~AbstractAnalysisArrayData","gmx::AbstractAnalysisData::AbstractAnalysisData","gmx::AbstractAnalysisData::Impl::Impl","gmx::AbstractAnalysisData::addColumnModule","gmx::AbstractAnalysisData::addModule","gmx::AbstractAnalysisData::applyModule","gmx::AbstractAnalysisData::columnCount","gmx::AbstractAnalysisData::dataSetCount","gmx::AbstractAnalysisData::getDataFrame","gmx::AbstractAnalysisData::isMultipoint","gmx::AbstractAnalysisData::moduleManager","gmx::AbstractAnalysisData::requestStorage","gmx::AbstractAnalysisData::setColumnCount","gmx::AbstractAnalysisData::setDataSetCount","gmx::AbstractAnalysisData::setMultipoint","gmx::AbstractAnalysisData::tryGetDataFrame","gmx::AbstractAnalysisData::~AbstractAnalysisData","gmx::AbstractAverageHistogram::AbstractAverageHistogram","gmx::AbstractAverageHistogram::clone","gmx::AbstractAverageHistogram::init","gmx::AbstractAverageHistogram::makeCumulative","gmx::AbstractAverageHistogram::normalizeProbability","gmx::AbstractAverageHistogram::resampleDoubleBinWidth","gmx::AbstractAverageHistogram::scaleAll","gmx::AbstractAverageHistogram::scaleAllByVector","gmx::AbstractAverageHistogram::scaleSingle","gmx::AbstractAverageHistogram::~AbstractAverageHistogram","gmx::AbstractCompositeHelpTopic::AbstractCompositeHelpTopic","gmx::AbstractCompositeHelpTopic::addSubTopic","gmx::AbstractCompositeHelpTopic::findSubTopic","gmx::AbstractCompositeHelpTopic::hasSubTopics","gmx::AbstractCompositeHelpTopic::registerSubTopic","gmx::AbstractCompositeHelpTopic::writeHelp","gmx::AbstractCompositeHelpTopic::writeSubTopicList","gmx::AbstractCompositeHelpTopic::~AbstractCompositeHelpTopic","gmx::AbstractOption::~AbstractOption","gmx::AbstractOptionStorage::AbstractOptionStorage","gmx::AbstractOptionStorage::appendValue","gmx::AbstractOptionStorage::finish","gmx::AbstractOptionStorage::finishSet","gmx::AbstractOptionStorage::formatExtraDescription","gmx::AbstractOptionStorage::isBoolean","gmx::AbstractOptionStorage::name","gmx::Abstrac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_bonds","tab_dihs","table_spline3_fill_ewald_lr","tabulated_pot","takeAwayBallistic","tanhf","tcouple_min_integration_steps","test_for_replica_exchange","texture","thole_pol","thunk","time","tng_allocate_data_mem","tng_allocate_particle_data_mem","tng_atom_name_get","tng_atom_name_of_particle_nr_get","tng_atom_name_set","tng_atom_residue_get","tng_atom_type_get","tng_atom_type_of_particle_nr_get","tng_atom_type_set","tng_block_header_read","tng_block_header_write","tng_block_read_next","tng_chain_name_get","tng_chain_name_of_particle_nr_get","tng_chain_name_set","tng_chain_num_residues_get","tng_chain_residue_add","tng_chain_residue_find","tng_chain_residue_of_index_get","tng_chain_residue_w_id_add","tng_compress","tng_compress_initial_pos_algo","tng_compress_initial_vel_algo","tng_compress_inquire","tng_compress_int_to_double","tng_compress_int_to_float","tng_compress_nalgo","tng_compress_pos","tng_compress_pos_algo","tng_compress_pos_find_algo","tng_compress_pos_float","tng_compress_pos_float_find_algo","tng_compress_pos_int","tng_compress_pos_int_find_algo","tng_compress_uncompress","tng_compress_uncompress_float","tng_compress_uncompress_int","tng_compress_uncompress_pos_gen","tng_compress_vel","tng_compress_vel_algo","tng_compress_vel_find_algo","tng_compress_vel_float","tng_compress_vel_float_find_algo","tng_compress_vel_int","tng_compress_vel_int_find_algo","tng_compression_precision_get","tng_compression_precision_set","tng_current_frame_set_get","tng_data_block_add","tng_data_block_contents_read","tng_data_block_dependency_get","tng_data_block_meta_information_read","tng_data_block_name_get","tng_data_block_num_values_per_frame_get","tng_data_block_write","tng_data_get","tng_data_get_stride_length","tng_data_interval_get","tng_data_read","tng_data_values_free","tng_data_vector_get","tng_data_vector_interval_get","tng_distance_unit_exponential_get","tng_distance_unit_exponential_set","tng_file_headers_read","tng_file_headers_write","tng_file_output_numerical","tng_file_pos_of_subsequent_trajectory_block_get","tng_first_computer_name_get","tng_first_computer_name_set","tng_first_frame_nr_of_next_frame_set_get","tng_first_program_name_get","tng_first_program_name_set","tng_first_signature_get","tng_first_signature_set","tng_first_user_name_get","tng_first_user_name_set","tng_forcefield_name_get","tng_forcefield_name_set","tng_frame_data_write","tng_frame_gen_data_write","tng_frame_particle_data_write","tng_frame_set_block_read","tng_frame_set_block_write","tng_frame_set_finalize","tng_frame_set_first_frame_time_set","tng_frame_set_frame_range_get","tng_frame_set_n_frames_of_data_block_get","tng_frame_set_new","tng_frame_set_next_frame_set_file_pos_get","tng_frame_set_nr_find","tng_frame_set_of_frame_find","tng_frame_set_particle_mapping_free","tng_frame_set_pointers_update","tng_frame_set_premature_write","tng_frame_set_prev_frame_set_file_pos_get","tng_frame_set_read","tng_frame_set_read_current_only_data_from_block_id","tng_frame_set_read_next","tng_frame_set_read_next_only_data_from_block_id","tng_frame_set_with_time_new","tng_frame_set_write","tng_freadstr","tng_gen_data_vector_get","tng_general_info_block_len_calculate","tng_general_info_block_read","tng_general_info_block_write","tng_global_residue_id_of_particle_nr_get","tng_header_pointers_update","tng_implicit_num_particles_set","tng_input_file_get","tng_input_file_len_get","tng_input_file_set","tng_last_computer_name_get","tng_last_computer_name_set","tng_last_program_name_get","tng_last_program_name_set","tng_last_signature_get","tng_last_signature_set","tng_last_user_name_get","tng_last_user_name_set","tng_long_stride_length_get","tng_long_stride_length_set","tng_medium_stride_length_get","tng_medium_stride_length_set","tng_migrate_data_in_file","tng_molecule_add","tng_molecule_alloc","tng_molecule_atom_find","tng_molecule_atom_of_index_get","tng_molecule_bond_add","tng_molecule_chain_add","tng_molecule_chain_find","tng_molecule_chain_of_index_get","tng_molecule_chain_w_id_add","tng_molecule_cnt_get","tng_molecule_cnt_list_get","tng_molecule_cnt_set","tng_molecule_destroy","tng_molecule_existing_add","tng_molecule_find","tng_molecule_free","tng_molecule_id_of_particle_nr_get","tng_molecule_init","tng_molecule_name_get","tng_molecule_name_of_particle_nr_get","tng_molecule_name_set","tng_molecule_num_atoms_get","tng_molecule_num_chains_get","tng_molecule_num_residues_get","tng_molecule_of_index_get","tng_molecule_residue_of_index_get","tng_molecule_system_copy","tng_molecule_w_id_add","tng_molecules_block_len_calculate","tng_molecules_block_read","tng_molecules_block_write","tng_molsystem_bonds_get","tng_num_frame_sets_get","tng_num_frames_get","tng_num_frames_per_frame_set_get","tng_num_frames_per_frame_set_set","tng_num_molecule_types_get","tng_num_molecules_get","tng_num_particles_get","tng_num_particles_variable_get","tng_output_append_file_set","tng_output_file_endianness_get","tng_output_file_endianness_set","tng_output_file_get","tng_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