|
System is distroted on applying dc electric filed
|
|
13
|
74
|
June 13, 2025
|
|
Reproducing TIP4P/2005 water properties
|
|
10
|
58
|
September 15, 2025
|
|
GROMACS 2025.2 patch release available
|
|
0
|
141
|
May 12, 2025
|
|
GROMACS 2025 beta release
|
|
0
|
102
|
November 18, 2024
|
|
Density-fit tutorial
|
|
0
|
101
|
March 21, 2025
|
|
Error compiling gromacs 2025.0 with CUDA
|
|
7
|
949
|
September 23, 2025
|
|
CMake Error (missing OpenMP_CUDA_FLAGS) on Windows when building with CUDA
|
|
7
|
830
|
September 28, 2025
|
|
Optimizing CPU/GPU efficiency and performance in GROMACS simulations
|
|
4
|
707
|
February 11, 2025
|
|
GROMACS 2024.5 patch release available
|
|
0
|
251
|
January 24, 2025
|
|
BOX SIZE CHANGE
|
|
4
|
525
|
October 13, 2024
|
|
Files for running water simulation using Tip4p/2005 model
|
|
6
|
392
|
October 23, 2024
|
|
Tip3p.gro download
|
|
6
|
357
|
June 19, 2025
|
|
GROMACS 2025.0 official release
|
|
0
|
155
|
February 11, 2025
|
|
Default value of gen-vel option in gromacs MDP file
|
|
5
|
331
|
January 17, 2025
|
|
How to insert different molecules into system?
|
|
7
|
324
|
December 4, 2024
|
|
GROMACS with PLUMED error
|
|
6
|
351
|
February 19, 2025
|
|
How to use the charmm36 force field parameters from CGenFF for ligand?
|
|
2
|
496
|
March 24, 2025
|
|
GROMACS 2024.4 patch release available
|
|
0
|
150
|
October 31, 2024
|
|
Gromacs on Ubuntu 24.04.10 LTS
|
|
2
|
444
|
November 11, 2024
|
|
GROMACS 2025.1 patch release available
|
|
0
|
111
|
March 11, 2025
|
|
Protein-Protein complex MD simulation
|
|
6
|
257
|
December 19, 2024
|
|
GROMACS 2025 beta release available
|
|
0
|
114
|
November 18, 2024
|
|
Computing viscosity vs shear rate for shear-thinning fluid with deform option
|
|
6
|
228
|
April 9, 2025
|
|
Installing GROMACS on HPC Cluster
|
|
7
|
201
|
February 11, 2025
|
|
gmx convert-tpr
|
|
3
|
249
|
October 24, 2024
|
|
Flat-bottom pull
|
|
7
|
182
|
October 9, 2024
|
|
Viscosity calculation output?
|
|
5
|
229
|
October 17, 2024
|
|
Gmx sasa throwing warning
|
|
7
|
188
|
March 4, 2025
|
|
RTX 5070 Ti and 5090
|
|
1
|
360
|
September 26, 2025
|
|
RTX 5070 Not Utilized
|
|
2
|
319
|
April 30, 2025
|
|
Gmx hbond doesn't work?
|
|
3
|
230
|
October 3, 2024
|
|
No such moleculetype 'SOL'
|
|
5
|
205
|
November 8, 2024
|
|
Pressure off due missing LJ parameters
|
|
4
|
121
|
January 7, 2025
|
|
Is it allowed to use Charmm36 ff on protein and GAFF on ligand?
|
|
4
|
206
|
October 31, 2024
|
|
Error of "There is no domain decomposition for 1 Ranks"?
|
|
4
|
212
|
November 22, 2024
|
|
How to get the wnrapped trajectory file?
|
|
8
|
149
|
October 15, 2024
|
|
Information to user discussion
|
|
1
|
84
|
February 3, 2025
|
|
GROMACS cant detect GPU (AMD)
|
|
7
|
167
|
May 27, 2025
|
|
GROMACS Result Analysis. Potential Issues?
|
|
7
|
173
|
April 17, 2025
|
|
Unstable RMSD Fluctuations in Protein Simulation: Potential Issues?
|
|
3
|
203
|
October 27, 2024
|
|
Area Per lipid of the multi component lipid bilayer
|
|
5
|
209
|
February 14, 2025
|
|
Gromacs All Test Fails
|
|
7
|
154
|
February 12, 2025
|
|
GROMACS 2025.3 patch release available
|
|
0
|
70
|
August 29, 2025
|
|
Fatal error: Not enough memory
|
|
6
|
161
|
November 20, 2024
|
|
Error C3028 in GROMACS 2025 when building on Windows with CUDA
|
|
7
|
146
|
February 20, 2025
|
|
Porting PoCL for Gromacs SYCL backend
|
|
2
|
44
|
February 19, 2025
|
|
Strange RMSF Graphs
|
|
5
|
145
|
January 21, 2025
|
|
Using the Martini3 Forcefield in pdb2gmx
|
|
2
|
206
|
January 7, 2025
|
|
Random GROMACS Crashes with CUDA error #717
|
|
2
|
236
|
February 28, 2025
|
|
Segmentation fault during production run
|
|
6
|
140
|
December 8, 2024
|