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Segmentation fault without further information
|
|
0
|
8
|
May 8, 2026
|
|
LINCS Error in production run
|
|
2
|
110
|
May 1, 2026
|
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Mdrun with awh for a dimeric protein
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0
|
24
|
April 29, 2026
|
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Energy calculations during mdrun with multiple groups
|
|
2
|
28
|
April 23, 2026
|
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Extreme performance loss with version 2026.1 on APUs
|
|
10
|
113
|
April 13, 2026
|
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GROMACS Command for Minimization, Equilibration, Production Runs from CHARMM README
|
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0
|
37
|
April 4, 2026
|
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Abnormal dVremain/dl values in GROMACS 2025.0 with vdw-type=pme and free-energy
|
|
3
|
15
|
March 31, 2026
|
|
Issues regarding MDrun in HPC
|
|
0
|
27
|
March 26, 2026
|
|
Coulomb (SR) calculation in PME
|
|
9
|
67
|
March 19, 2026
|
|
Steered Molecular dynamics of a ligand moving towards bilayer membrane
|
|
1
|
37
|
March 16, 2026
|
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Paradoxical Density in OPLS-AA: Diesel mixture density is abnormally LOWER than its lightest compone
|
|
6
|
35
|
March 15, 2026
|
|
Restart MD run from a particular time moment in *.xtc file?
|
|
5
|
47
|
March 6, 2026
|
|
Gromacs-CP2k energy minimization
|
|
0
|
30
|
February 24, 2026
|
|
Steered MD Simulation error
|
|
19
|
157
|
February 19, 2026
|
|
Equilibration not work
|
|
0
|
22
|
February 17, 2026
|
|
Issue with orienting two monomers during dimer insertion in GoMARTINI membrane system
|
|
0
|
20
|
February 13, 2026
|
|
Performance regression in 2025.4: suboptimal CUDA NBNxM kernel selection vs 2024.2
|
|
7
|
89
|
February 12, 2026
|
|
Is -table option in mdrun still enable?
|
|
3
|
38
|
February 12, 2026
|
|
MDRun Losing Atoms
|
|
7
|
62
|
February 10, 2026
|
|
SMD simulation - protein pulling and resulting rotation
|
|
2
|
64
|
February 10, 2026
|
|
How to build Ligand topology
|
|
2
|
103
|
February 4, 2026
|
|
[Errors] Problems during Umbrella Sampling
|
|
1
|
44
|
February 4, 2026
|
|
The contradiction between the mdp settings and the real pull rate
|
|
13
|
66
|
February 4, 2026
|
|
How to add hydrogen atoms to the complex with correct coordinates?
|
|
2
|
32
|
January 23, 2026
|
|
Comparing Simulations with Different Thermo/Barostats
|
|
2
|
61
|
January 21, 2026
|
|
COF molecular dynamics simulation model creation
|
|
1
|
87
|
January 10, 2026
|
|
Fatal error: number of coordinates in coordinate file does not match topology file
|
|
7
|
1810
|
January 7, 2026
|
|
Steered MD Simulation using Gromacs
|
|
2
|
74
|
January 7, 2026
|
|
High pressure in x and y axis in a buble in a nano channel
|
|
2
|
36
|
January 5, 2026
|
|
Colvars' distancePairs to get minimum distance between molecules
|
|
1
|
36
|
December 30, 2025
|