Topics tagged gmx-trjconv

Topic	Replies	Views	Activity
Is PBC correction necessary for some particular type of analysis? User discussions pbc , analysis-tools , gmx-trjconv	2	1210	May 30, 2023
Error when using a bash loop User discussions gmx-trjconv	1	320	May 19, 2023
PBC correction during Umbrella sampling configuration generation User discussions grompp , gmx-trjconv	2	330	May 19, 2023
Trjconv not writing chain identifiers anymore (since ca. v2019) User discussions gmx-trjconv	4	572	May 2, 2023
Fit trajectories (trjconv) issue User discussions gmx-trjconv	2	1334	March 15, 2023
Trjconv -dt does not output frames at correct times User discussions gmx-trjconv	0	367	March 2, 2023
Gmx trjconv User discussions mdp-parameters , mdrun , gmx-trjconv , gmx-distance	1	688	February 17, 2023
Error in gmx do_dssp User discussions gmx-trjconv	8	2175	December 11, 2022
Visualizing clusters of molecules with trjconv with pbc User discussions gmx-trjconv	14	3646	November 17, 2022
PBC correction doesn't remove all PBCs User discussions pbc , gmx-trjconv	0	701	November 2, 2022
Trajectory extraction of multimeric system User discussions analysis-tools , gmx-trjconv	6	1379	October 29, 2022
Potential trjconv issue? - dichloromethane molecule with broken carbon-chlorine bonds User discussions gmx-trjconv	2	570	October 10, 2022
RDF and PBC corrections User discussions analysis-tools , gmx-trjconv	3	1014	October 1, 2022
Strip solvent from trajectory - Cannot do both runtime modification and charge-zeroing/index User discussions mdrun , gmx-trjconv	6	1572	September 12, 2022
Salt dipoles (Mg-SO4) from XTC format shows zero for free ions User discussions mdrun , analysis-tools , gmx-trjconv	1	372	August 10, 2022
Trjconv error User discussions gmx-trjconv	1	1370	June 22, 2022
Problem while combining ndx index file with snapshots in trjconv User discussions gmx-trjconv	0	566	June 3, 2022
Trjconv options to extract frames from long trajectory User discussions gmx-trjconv	2	4107	May 31, 2022
How to trim .xtc file? User discussions gmx-trjconv	2	1163	May 11, 2022
Extraction of trajectory for multimeric system User discussions analysis-tools , replica-exchange , gmx-trjconv	9	2203	April 8, 2022
Trajectory lists previous frame than what is mentioned in *.ndx User discussions gmx-trjconv	2	572	April 7, 2022
Ligand gets fragmented after recentering / Need help User discussions gmx-trjconv	1	404	April 6, 2022
I want to remove the periodicity of the system but I don't want to bring my gold slab at the center User discussions analysis-tools , gmx-trjconv	0	448	February 9, 2022
Why does molecules in MD trajectory go out of the pbc box in VMD / pymol? User discussions pbc , gmx-trjconv	1	1124	January 21, 2022
Extending the simulation with new mdp file User discussions mdrun , gmx-trjconv	2	683	January 20, 2022
Trjconv does outputs structure of only monomer in case of dimeric protein User discussions gmx-trjconv	9	1029	January 6, 2022
Centering a protein in MD production run User discussions gmx-trjconv	5	941	October 9, 2021
Remove PBC User discussions pbc , gmx-trjconv	1	717	September 27, 2021
Selection in control volume User discussions gmx-trjconv	0	308	September 8, 2021
Gmx trjconv for 'selected' trajectories User discussions gmx-trjconv	6	1425	August 18, 2021