|
Invalid order for directive atomtypes (error)
|
|
11
|
7364
|
December 20, 2024
|
|
Error: Topol.top file doesn`t match solv.gro file
|
|
1
|
10
|
December 18, 2024
|
|
No default improper dihedral types in Amber ff14sb-OL21 for DNA simulations
|
|
1
|
19
|
December 17, 2024
|
|
Issues with MD Run and Fe Displacement in Hemoglobin Simulation
|
|
4
|
38
|
December 13, 2024
|
|
Number of coordinates did not match in coordinated file with the topology file
|
|
23
|
8686
|
December 9, 2024
|
|
ERROR 164 [file topol.top, line 100195]: No default Ryckaert-Bell. types
|
|
3
|
13
|
November 29, 2024
|
|
Energy minimization error sc-r-power = 48 not supported
|
|
4
|
590
|
November 18, 2024
|
|
Ligand MD simulation
|
|
2
|
30
|
November 8, 2024
|
|
Grompp errors with v2024.3: The drift estimate should be a finite value
|
|
5
|
20
|
October 30, 2024
|
|
Fatal error: Syntax error - File ffnonbonded.itp, line 5 Last line read: '[ atomtypes ]' Invalid ord
|
|
5
|
33
|
October 29, 2024
|
|
Reading double precision coordinate data with grompp
|
|
7
|
26
|
October 25, 2024
|
|
Velocity distribution and
|
|
0
|
14
|
October 15, 2024
|
|
Error in using the soft core minimization
|
|
4
|
70
|
September 24, 2024
|
|
Largest distance between excluded atoms error even though atoms are bonded
|
|
0
|
76
|
September 11, 2024
|
|
Check the Forcefield of the electrolyte system EC DEC DMC
|
|
1
|
18
|
September 9, 2024
|
|
Error in NPT Equilibration for Protein Ligand Complex MD Tutorial
|
|
3
|
115
|
August 28, 2024
|
|
For two ligand and a complex molecular dynamics simulation in GROMACS
|
|
2
|
44
|
August 15, 2024
|
|
Dihedral bonds disappearing/ignored during GROMPP step
|
|
10
|
37
|
August 14, 2024
|
|
Another Problem with Distances Between Pull Groups
|
|
3
|
517
|
July 14, 2024
|
|
Grommp error
|
|
1
|
31
|
July 9, 2024
|
|
Segmentation Fault, Error during `gmx grompp`
|
|
1
|
984
|
July 5, 2024
|
|
Segmentation fault in polymer salt and water system
|
|
1
|
60
|
June 22, 2024
|
|
Preprocessor and machine-dependency
|
|
2
|
36
|
June 19, 2024
|
|
No default Bond types, U-B types
|
|
0
|
70
|
June 15, 2024
|
|
Using Andersen-massive returns "Andersen temperature control does not work with constraints"
|
|
1
|
115
|
June 14, 2024
|
|
Segmentation falult (core dumped
|
|
7
|
276
|
June 5, 2024
|
|
Fatal error: There were 2 errors in input file(s) during ionization by using grompp module
|
|
1
|
84
|
May 31, 2024
|
|
MD analysis for apo-protein is going wrong
|
|
1
|
100
|
May 22, 2024
|
|
Atomtype OW not found during grompp em
|
|
2
|
229
|
May 10, 2024
|
|
Program: gmx pdb2gmx, version 2021.4-Ubuntu-2021.4-2 Source file: src/gromacs/gmxpreprocess/resa
|
|
4
|
181
|
April 30, 2024
|