|
Error in using the soft core minimization
|
|
3
|
18
|
September 12, 2024
|
|
Largest distance between excluded atoms error even though atoms are bonded
|
|
0
|
12
|
September 11, 2024
|
|
Check the Forcefield of the electrolyte system EC DEC DMC
|
|
1
|
9
|
September 9, 2024
|
|
Error in NPT Equilibration for Protein Ligand Complex MD Tutorial
|
|
3
|
32
|
August 28, 2024
|
|
For two ligand and a complex molecular dynamics simulation in GROMACS
|
|
2
|
29
|
August 15, 2024
|
|
Dihedral bonds disappearing/ignored during GROMPP step
|
|
10
|
32
|
August 14, 2024
|
|
Number of coordinates did not match in coordinated file with the topology file
|
|
22
|
7975
|
July 24, 2024
|
|
Invalid order for directive atomtypes (error)
|
|
6
|
6490
|
July 19, 2024
|
|
Another Problem with Distances Between Pull Groups
|
|
3
|
445
|
July 14, 2024
|
|
Grommp error
|
|
1
|
24
|
July 9, 2024
|
|
Segmentation Fault, Error during `gmx grompp`
|
|
1
|
957
|
July 5, 2024
|
|
Segmentation fault in polymer salt and water system
|
|
1
|
56
|
June 22, 2024
|
|
Preprocessor and machine-dependency
|
|
2
|
33
|
June 19, 2024
|
|
No default Bond types, U-B types
|
|
0
|
68
|
June 15, 2024
|
|
Using Andersen-massive returns "Andersen temperature control does not work with constraints"
|
|
1
|
107
|
June 14, 2024
|
|
Segmentation falult (core dumped
|
|
7
|
172
|
June 5, 2024
|
|
Fatal error: There were 2 errors in input file(s) during ionization by using grompp module
|
|
1
|
67
|
May 31, 2024
|
|
MD analysis for apo-protein is going wrong
|
|
1
|
91
|
May 22, 2024
|
|
Atomtype OW not found during grompp em
|
|
2
|
175
|
May 10, 2024
|
|
Program: gmx pdb2gmx, version 2021.4-Ubuntu-2021.4-2 Source file: src/gromacs/gmxpreprocess/resa
|
|
4
|
165
|
April 30, 2024
|
|
How to make pull.tpr?
|
|
2
|
86
|
April 23, 2024
|
|
Extending Simulaton
|
|
2
|
144
|
April 23, 2024
|
|
Error in generating .tpr file
|
|
8
|
171
|
April 21, 2024
|
|
Gmx grompp crashes with a very simple system
|
|
7
|
293
|
April 11, 2024
|
|
Syntax error - File forcefield.itp, line 18
|
|
1
|
195
|
March 21, 2024
|
|
Umbrella sampling gromacs problem
|
|
3
|
163
|
March 18, 2024
|
|
Parameterization of an adenylylated tyrosine residue in CHARMM36
|
|
0
|
136
|
March 7, 2024
|
|
HEME-Histidine missing dihedrals
|
|
5
|
438
|
January 29, 2024
|
|
LINCS warning during energy minimizations
|
|
8
|
1689
|
January 24, 2024
|
|
Non converging Fmax in energy minimization
|
|
4
|
1048
|
January 23, 2024
|