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RDF and PBC corrections
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3
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29
|
October 1, 2022
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Strip solvent from trajectory - Cannot do both runtime modification and charge-zeroing/index
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6
|
87
|
September 12, 2022
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Error in gmx do_dssp
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7
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58
|
September 6, 2022
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Salt dipoles (Mg-SO4) from XTC format shows zero for free ions
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1
|
47
|
August 10, 2022
|
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Trjconv error
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1
|
119
|
June 22, 2022
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Problem while combining ndx index file with snapshots in trjconv
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0
|
78
|
June 3, 2022
|
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Trjconv options to extract frames from long trajectory
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2
|
135
|
May 31, 2022
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How to trim .xtc file?
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2
|
85
|
May 11, 2022
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Protein come out of the box but trjconv command didn't fix the problem
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5
|
520
|
May 3, 2022
|
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Trajectory extraction of multimeric system
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4
|
158
|
April 22, 2022
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Visualizing clusters of molecules with trjconv with pbc
|
|
13
|
498
|
April 16, 2022
|
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Extraction of trajectory for multimeric system
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|
9
|
252
|
April 8, 2022
|
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Trajectory lists previous frame than what is mentioned in *.ndx
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2
|
100
|
April 7, 2022
|
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Ligand gets fragmented after recentering / Need help
|
|
1
|
80
|
April 6, 2022
|
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Removing PBC for peptide-lipid system
|
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4
|
261
|
February 21, 2022
|
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I want to remove the periodicity of the system but I don't want to bring my gold slab at the center
|
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0
|
99
|
February 9, 2022
|
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Why does molecules in MD trajectory go out of the pbc box in VMD / pymol?
|
|
1
|
160
|
January 21, 2022
|
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Extending the simulation with new mdp file
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|
2
|
198
|
January 20, 2022
|
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Trjconv does outputs structure of only monomer in case of dimeric protein
|
|
9
|
267
|
January 6, 2022
|
|
Centering a protein in MD production run
|
|
5
|
235
|
October 9, 2021
|
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Remove PBC
|
|
1
|
141
|
September 27, 2021
|
|
Selection in control volume
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|
0
|
90
|
September 8, 2021
|
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Gmx trjconv for 'selected' trajectories
|
|
6
|
252
|
August 18, 2021
|
|
Center solvent in the centre of the box
|
|
6
|
483
|
June 18, 2021
|
|
Fit trajectories (trjconv) issue
|
|
1
|
386
|
April 26, 2021
|
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How to use gmx trjconv to extract the trajectory only for the protein?
|
|
3
|
828
|
March 18, 2021
|
|
Recentering the protein and extracting frames
|
|
1
|
510
|
March 14, 2021
|