|
How to use the forum
|
|
0
|
4240
|
October 28, 2020
|
|
About the User discussions category
|
|
0
|
2146
|
April 24, 2020
|
|
Mdp file differences between CHARMM27 and CHARMM36 parameters
|
|
4
|
50
|
October 7, 2026
|
|
Chloroform as a solvent in Charmm36 force field
|
|
3
|
266
|
October 5, 2026
|
|
Hardware advice: RTX 5080 vs 5090 for 50k-100k atom protein systems
|
|
1
|
35
|
October 2, 2026
|
|
How to generate a GROMACS topology (.itp) for a silver nanocluster using the INTERFACE Force Field?
|
|
0
|
23
|
September 30, 2026
|
|
PlumedMDTests Failing Gromacs 2026.3
|
|
1
|
31
|
September 29, 2026
|
|
Addition of AMBER OL3 Force field in GROMACS
|
|
2
|
86
|
September 28, 2026
|
|
Advice on High Penalty in CGenff generated topology
|
|
1
|
42
|
September 26, 2026
|
|
GROMACS hydrogen-bond analysis question
|
|
1
|
42
|
September 22, 2026
|
|
PBCs in a slightly complex system
|
|
7
|
127
|
September 15, 2026
|
|
Inconsistent shifts
|
|
3
|
3913
|
September 14, 2026
|
|
Port LignAmb25 Force Field to GROMACS
|
|
3
|
135
|
September 10, 2026
|
|
SAM co-factor with CHARMM force field for GROMACS silmualtion
|
|
14
|
506
|
September 8, 2026
|
|
Unable to select specific chains (A/B) for a dimer in v2024.3
|
|
6
|
140
|
September 8, 2026
|
|
Having issue with gmx SASA giving values of 0 for specific protein
|
|
0
|
52
|
September 8, 2026
|
|
Gmx dssp gives wrong secondary structure results
|
|
6
|
1407
|
September 7, 2026
|
|
How can I fix a "bi-layer" during an NPT simulation?
|
|
3
|
81
|
September 7, 2026
|
|
Does the Ewald3D-C long-range correction include a virial contribution?
|
|
2
|
66
|
September 4, 2026
|
|
Using GROMACS and PLUMED to do a metadynamics simulations
|
|
1
|
77
|
September 2, 2026
|
|
PBC Box Failing to Expand to Input .gro File Parameters + Unwanted Position Restrained Protein
|
|
3
|
91
|
September 2, 2026
|
|
Gromacs for Windows on Arm Architecture for Copilot+PC
|
|
6
|
115
|
September 2, 2026
|
|
Hydrogen Mass Repartitioning-Help
|
|
1
|
63
|
September 2, 2026
|
|
Solvent accessible surface area calculation in GROMACS
|
|
2
|
72
|
September 2, 2026
|
|
Constant Electric Field and Membrane Voltage in GROMACS
|
|
1
|
62
|
September 1, 2026
|
|
Low GROMACS Performance on RTX 5090 Workstation
|
|
4
|
277
|
August 31, 2026
|
|
Subject: How to calculate protein spreading area on a membrane over time using GROMACS and Martini 3
|
|
1
|
62
|
August 31, 2026
|
|
Hamiltonian replica exchange error
|
|
1
|
51
|
August 28, 2026
|
|
NPγT vs NPT for Unrestrained Membrane Equilibration Using the CHARMM36 Force Field
|
|
10
|
186
|
August 26, 2026
|
|
How to add salt？
|
|
2
|
102
|
August 26, 2026
|