|
Issue with Coarse-Grained Lipid Bilayer + Protein Simulation (Missing Frames After ~36 µs)
|
|
0
|
19
|
February 18, 2026
|
|
Confusion about -DNORMANG in define field of MDP file, where is this flag defined?
|
|
2
|
33
|
February 18, 2026
|
|
Equilibration not work
|
|
0
|
21
|
February 17, 2026
|
|
CGenFF ERROR - attype warning: unknown sulfur type (SD) not supported; skipped molecule
|
|
2
|
282
|
February 16, 2026
|
|
AWH vs Metadynamics
|
|
1
|
53
|
February 16, 2026
|
|
How to decide the production time in the free energy calculations?
|
|
0
|
12
|
February 16, 2026
|
|
Issue with orienting two monomers during dimer insertion in GoMARTINI membrane system
|
|
0
|
12
|
February 13, 2026
|
|
MD simulation of multichain dimer
|
|
2
|
36
|
February 13, 2026
|
|
Problem in using make_ndx to define index
|
|
5
|
42
|
February 13, 2026
|
|
Discussion on sugars as an osmolyte
|
|
0
|
14
|
February 12, 2026
|
|
Performance regression in 2025.4: suboptimal CUDA NBNxM kernel selection vs 2024.2
|
|
7
|
73
|
February 12, 2026
|
|
Is -table option in mdrun still enable?
|
|
3
|
25
|
February 12, 2026
|
|
Gromacs2026.0, Large number of warnings when building with cray programing environments (CPE25.02)
|
|
1
|
31
|
February 11, 2026
|
|
Pull code (umbrella, distance): Fatal error "Pull reference distance … needs to be non-negative"
|
|
1
|
33
|
February 11, 2026
|
|
MDRun Losing Atoms
|
|
7
|
54
|
February 10, 2026
|
|
SMD simulation - protein pulling and resulting rotation
|
|
2
|
40
|
February 10, 2026
|
|
Questions regarding AWH and comparison to MBAR
|
|
3
|
49
|
February 10, 2026
|
|
GROMACS conda version that uses AVX_512 with GPU
|
|
14
|
82
|
February 10, 2026
|
|
Amber99sb-ildn ff with Hydroxyproline
|
|
1
|
43
|
February 10, 2026
|
|
Ligand mlecule containing boron atom
|
|
1
|
35
|
February 10, 2026
|
|
Proteolytic cleavage of aggregate protein by enzyme
|
|
3
|
33
|
February 9, 2026
|
|
Pdb2gmx fails to recognize OXT in terminal valine
|
|
1
|
34
|
February 7, 2026
|
|
Workstation options
|
|
1
|
32
|
February 5, 2026
|
|
How to build Ligand topology
|
|
2
|
70
|
February 4, 2026
|
|
no default bond types, angle types or dihedral types
|
|
1
|
22
|
February 4, 2026
|
|
PBC issues when simulating multimeric assembly
|
|
1
|
32
|
February 4, 2026
|
|
Instantaneous positional shifts of protein trajectory
|
|
1
|
15
|
February 4, 2026
|
|
PBC centering Issue
|
|
1
|
35
|
February 4, 2026
|
|
[Errors] Problems during Umbrella Sampling
|
|
1
|
30
|
February 4, 2026
|
|
Your Review on AMBER19sb MD in GROMACS2026
|
|
1
|
82
|
February 4, 2026
|