User discussions


Topic Replies Views Activity
How to use the forum

1 403 October 28, 2020
Welcome to GROMACS forum

Here you ask and answer questions on GROMACS , a free and open-source software suite for high-performance molecular dynamics and output analysis. User discussions. Discussion forum for installation and usage of GROMAC…

4 1133 May 11, 2020
About the User discussions category
0 347 April 24, 2020
L-J and electrostatic force
analysis-tools
2 5 September 22, 2021
NpT with only two directions?
mdp-parameters
1 7 September 22, 2021
Errors with REMD simulation
mdrun
2 8 September 22, 2021
REMD simulation
mdrun
0 4 September 22, 2021
Remove PBC
0 4 September 22, 2021
Pullx file
1 15 September 22, 2021
Calculating complexation ion interactions
analysis-tools
1 8 September 22, 2021
Atomtype not found, but atom is in FF
forcefield
1 11 September 22, 2021
Getting segmentation fault mdrun
mdrun
4 22 September 22, 2021
Terminal capping topology: how rtp and *.tdb are combined?
pdb2gmx ,  forcefield
2 22 September 21, 2021
Protein-peptide modeling
0 7 September 21, 2021
Average/Representative Structure from Trajectory
2 11 September 21, 2021
Different coupling for translation and rotation
mdp-parameters ,  mdrun
2 13 September 21, 2021
Umbrella Sampling Negative Potential Mean Force for Protein-Ligand System
0 8 September 21, 2021
creating topolgy for small organic molecule in complex with a protein with unnatural residue
0 7 September 21, 2021
How to calculate PMF after Steered MD without using umbrella simulations?
analysis-tools
2 24 September 21, 2021
Make_ndx problem: One of your groups is not ascending
6 12 September 20, 2021
Generation of topology for non-standard molecules
forcefield
22 96 September 20, 2021
RMSD results
3 30 September 20, 2021
Using restraints in production MD for Protein-Ligand complex
grompp ,  mdrun
1 21 September 20, 2021
About fatal error/Umbrella Sampling
1 16 September 20, 2021
Coulomb-(SR) is different between GROMACS versions
mdrun
4 7 September 20, 2021
MSD vs Green-Kubo ionic conductivity in ionic liquids
0 11 September 20, 2021
Densmap and xpm2ps commands
1 31 September 20, 2021
What is ‘sc-r-power=48’ mean
mdrun
1 9 September 20, 2021
About the calculation method of the temperature rise of the system by the oscillating electric field
mdrun
1 20 September 20, 2021
How to find radius of gyration of individual polymer chains in gmx
2 15 September 19, 2021