|
How to use the forum
|
|
1
|
4038
|
October 28, 2020
|
|
About the User discussions category
|
|
0
|
2090
|
April 24, 2020
|
|
Steered MD Simulation error
|
|
8
|
51
|
February 6, 2026
|
|
Gromacs2026.0, Large number of warnings when building with cray programing environments (CPE25.02)
|
|
0
|
4
|
February 6, 2026
|
|
Questions regarding AWH and comparison to MBAR
|
|
2
|
18
|
February 6, 2026
|
|
Performance regression in 2025.4: suboptimal CUDA NBNxM kernel selection vs 2024.2
|
|
5
|
45
|
February 6, 2026
|
|
SMD simulation - protein pulling and resulting rotation
|
|
0
|
13
|
February 5, 2026
|
|
Workstation options
|
|
1
|
12
|
February 5, 2026
|
|
MD simulation of multichain dimer
|
|
0
|
11
|
February 4, 2026
|
|
Proteolytic cleavage of aggregate protein by enzyme
|
|
2
|
23
|
February 4, 2026
|
|
GROMACS conda version that uses AVX_512 with GPU
|
|
12
|
44
|
February 4, 2026
|
|
How to build Ligand topology
|
|
2
|
31
|
February 4, 2026
|
|
no default bond types, angle types or dihedral types
|
|
1
|
21
|
February 4, 2026
|
|
PBC issues when simulating multimeric assembly
|
|
1
|
23
|
February 4, 2026
|
|
Instantaneous positional shifts of protein trajectory
|
|
1
|
11
|
February 4, 2026
|
|
PBC centering Issue
|
|
1
|
23
|
February 4, 2026
|
|
[Errors] Problems during Umbrella Sampling
|
|
1
|
20
|
February 4, 2026
|
|
Your Review on AMBER19sb MD in GROMACS2026
|
|
1
|
33
|
February 4, 2026
|
|
Is -table option in mdrun still enable?
|
|
2
|
11
|
February 4, 2026
|
|
The contradiction between the mdp settings and the real pull rate
|
|
13
|
37
|
February 4, 2026
|
|
Pdb2gmx fails to recognize OXT in terminal valine
|
|
0
|
17
|
February 3, 2026
|
|
Simulated annealing of protein-DNA complex
|
|
0
|
13
|
February 3, 2026
|
|
SAM co-factor with CHARMM force field for GROMACS silmualtion
|
|
10
|
213
|
February 3, 2026
|
|
Gmx filter
|
|
26
|
161
|
February 2, 2026
|
|
Why not protein is not come in the selection
|
|
1
|
9
|
January 31, 2026
|
|
CMake Error (missing OpenMP_CUDA_FLAGS) on Windows when building with CUDA
|
|
8
|
1102
|
January 30, 2026
|
|
Question about how LINCS calculates stress
|
|
5
|
45
|
January 30, 2026
|
|
Amber19SB and Amber14SB in old versions of Gromacs
|
|
11
|
78
|
January 29, 2026
|
|
Umbrella sampling for a protien ligand system
|
|
1
|
25
|
January 29, 2026
|
|
Error problem
|
|
1
|
13
|
January 29, 2026
|