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PBC correction during Umbrella sampling configuration generation
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2
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316
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May 19, 2023
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Trjconv not writing chain identifiers anymore (since ca. v2019)
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4
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495
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May 2, 2023
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Fit trajectories (trjconv) issue
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2
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1293
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March 15, 2023
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Trjconv -dt does not output frames at correct times
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0
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349
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March 2, 2023
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Gmx trjconv
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1
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656
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February 17, 2023
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Error in gmx do_dssp
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8
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2056
|
December 11, 2022
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Visualizing clusters of molecules with trjconv with pbc
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14
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3312
|
November 17, 2022
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PBC correction doesn't remove all PBCs
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0
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648
|
November 2, 2022
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Trajectory extraction of multimeric system
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6
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1257
|
October 29, 2022
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Potential trjconv issue? - dichloromethane molecule with broken carbon-chlorine bonds
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2
|
526
|
October 10, 2022
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RDF and PBC corrections
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3
|
900
|
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
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1491
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September 12, 2022
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Salt dipoles (Mg-SO4) from XTC format shows zero for free ions
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1
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358
|
August 10, 2022
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Trjconv error
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1
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1343
|
June 22, 2022
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Problem while combining ndx index file with snapshots in trjconv
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0
|
554
|
June 3, 2022
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Trjconv options to extract frames from long trajectory
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2
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3918
|
May 31, 2022
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How to trim .xtc file?
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2
|
1082
|
May 11, 2022
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Extraction of trajectory for multimeric system
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9
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2046
|
April 8, 2022
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Trajectory lists previous frame than what is mentioned in *.ndx
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2
|
549
|
April 7, 2022
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Ligand gets fragmented after recentering / Need help
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1
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379
|
April 6, 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
|
431
|
February 9, 2022
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Why does molecules in MD trajectory go out of the pbc box in VMD / pymol?
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1
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1066
|
January 21, 2022
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Extending the simulation with new mdp file
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2
|
657
|
January 20, 2022
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Trjconv does outputs structure of only monomer in case of dimeric protein
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9
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946
|
January 6, 2022
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Centering a protein in MD production run
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5
|
887
|
October 9, 2021
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Remove PBC
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1
|
696
|
September 27, 2021
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Selection in control volume
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0
|
295
|
September 8, 2021
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Gmx trjconv for 'selected' trajectories
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6
|
1369
|
August 18, 2021
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Center solvent in the centre of the box
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6
|
1751
|
June 18, 2021
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How to use gmx trjconv to extract the trajectory only for the protein?
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3
|
3624
|
March 18, 2021
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