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Gmx rdf selection (selrpos and seltype)
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4
|
335
|
October 25, 2023
|
|
MMPBSA_Error
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|
0
|
152
|
October 22, 2023
|
|
Segmentation fault (core dumped) when generating gro file with trjconv
|
|
1
|
221
|
October 20, 2023
|
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H-bond occupancies calculation with time
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0
|
146
|
October 20, 2023
|
|
Pulling MD - pullforce has multiplie peaks
|
|
8
|
302
|
October 19, 2023
|
|
Gmx spatial
|
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0
|
162
|
October 12, 2023
|
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Problem for gmx trjconv
|
|
1
|
457
|
October 11, 2023
|
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MSD calculation with or without mol option for a group of large molecules
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0
|
168
|
October 10, 2023
|
|
Gmx trjcat not splitting trajectories
|
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1
|
296
|
October 5, 2023
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|
First frame (t = 0 ns) of the trajectory is different from the crystal structure
|
|
1
|
179
|
October 4, 2023
|
|
Rmsf according to referans gro files
|
|
1
|
192
|
October 4, 2023
|
|
Gmx hbond error
|
|
0
|
177
|
October 3, 2023
|
|
RMSD with trjconv and -pbc no
|
|
1
|
378
|
October 3, 2023
|
|
Transverse Current Autocorrelation Function, FV and FFV
|
|
1
|
179
|
September 27, 2023
|
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How to add an organic molecule in an enzym's active pocket?
|
|
2
|
200
|
September 27, 2023
|
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How can I visualize my md files on the VMD? and which files should I use?
|
|
0
|
309
|
September 26, 2023
|
|
Regarding viscosity calculation
|
|
8
|
380
|
September 25, 2023
|
|
GMX_order - Fatal error: grp 1 does not have same number of elements as grp 1
|
|
5
|
382
|
September 24, 2023
|
|
How to calculate stiffness of the interface
|
|
0
|
126
|
September 23, 2023
|
|
What can be the variation of lennard jones long range interactions between enzyme and a metal ion?
|
|
0
|
165
|
September 20, 2023
|
|
Poor ligand-protein RMSD
|
|
1
|
168
|
September 14, 2023
|
|
Mismatch between gmx energy and gmx analyze
|
|
0
|
264
|
September 14, 2023
|
|
Bad RMSD values from protein-ligand complex
|
|
0
|
389
|
September 6, 2023
|
|
Error on gmx com distances
|
|
0
|
239
|
September 1, 2023
|
|
MSD tool to calculate osmotic permeability
|
|
0
|
344
|
August 28, 2023
|
|
Seperating the calculation region for gmx energy -vis
|
|
0
|
420
|
August 30, 2023
|
|
Diffusion constant using gmx msd
|
|
4
|
2430
|
March 1, 2022
|
|
Polymer miscibility and solubility parameters
|
|
0
|
177
|
August 22, 2023
|
|
Issue with re-wrapping and re-centering peptide-protein system
|
|
0
|
225
|
August 21, 2023
|
|
How Do I Create several regions in a lipid bilayer to make analysis of bulk/interfacial regions
|
|
0
|
145
|
August 14, 2023
|