|
How to trim .xtc file?
|
|
2
|
630
|
May 11, 2022
|
|
Extraction of trajectory for multimeric system
|
|
9
|
1514
|
April 8, 2022
|
|
Trajectory lists previous frame than what is mentioned in *.ndx
|
|
2
|
450
|
April 7, 2022
|
|
Ligand gets fragmented after recentering / Need help
|
|
1
|
321
|
April 6, 2022
|
|
Removing PBC for peptide-lipid system
|
|
4
|
1604
|
February 21, 2022
|
|
I want to remove the periodicity of the system but I don't want to bring my gold slab at the center
|
|
0
|
371
|
February 9, 2022
|
|
Why does molecules in MD trajectory go out of the pbc box in VMD / pymol?
|
|
1
|
691
|
January 21, 2022
|
|
Extending the simulation with new mdp file
|
|
2
|
566
|
January 20, 2022
|
|
Trjconv does outputs structure of only monomer in case of dimeric protein
|
|
9
|
733
|
January 6, 2022
|
|
Centering a protein in MD production run
|
|
5
|
628
|
October 9, 2021
|
|
Remove PBC
|
|
1
|
531
|
September 27, 2021
|
|
Selection in control volume
|
|
0
|
248
|
September 8, 2021
|
|
Gmx trjconv for 'selected' trajectories
|
|
6
|
788
|
August 18, 2021
|
|
Center solvent in the centre of the box
|
|
6
|
1280
|
June 18, 2021
|
|
How to use gmx trjconv to extract the trajectory only for the protein?
|
|
3
|
2474
|
March 18, 2021
|
|
Recentering the protein and extracting frames
|
|
1
|
1483
|
March 14, 2021
|