GROMACS user forum


Topic Replies Views Activity
About the GROMACS user forum category
0 195 April 24, 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. GROMACS user forum. Discussion forum for installation and usage of GROMA…

4 620 May 11, 2020
How to use the forum

1 167 October 28, 2020
Molecules position gets changed
6 123 August 5, 2020
How do I visualize a group made with gmx make_ndx?
3 88 September 22, 2020
Simulation of small molecule in lipid bilayer
2 18 January 12, 2021
Hard Spheres Brownian Dynamics LJ Energy
2 47 September 18, 2020
Gmx sasa argument to output per-frame data?
2 58 August 12, 2020
Velocity generation in the nvt, npt and md.mdp files
2 81 May 23, 2020
Comparing the clusters size distributions
0 17 January 7, 2021
How to introduce crowder
1 45 June 26, 2020
How does one create an .itp file of a molecule?
2 41 December 23, 2020
Segmentation faulty inquiry?
5 79 August 31, 2020
Allow sc-coul to be turned off
0 21 June 13, 2020
Water permeation script for GROMACS trajectories
0 16 November 20, 2020
How to solve Lincs warning in free energy calculation
8 171 October 20, 2020
Question about equilibration
1 35 September 1, 2020
Gmx mdrun -deffnm md_0_1 -nb gpu ** GPU command line error
17 616 November 2, 2020
Usage of GMXLIB
1 39 September 17, 2020
FEP: ligand topology files
1 42 November 30, 2020
Removal of Tabulated Potentials from GROMACS 2020
0 45 July 14, 2020
Calculation of density?
4 21 December 9, 2020
Spherical position restraints
5 54 October 19, 2020
Equilibration step does not work
6 45 November 17, 2020
How can I influence the number of steps in Gromacs simulation?
1 63 June 23, 2020
Mdrun , running simulation on over 10 GPUS machines
5 173 May 26, 2020
Please consider rebuilding gmx mdrun with the GMX_USE_RDTSCP=ON CMake option
8 465 June 13, 2020
REMD: "topol.tpr" required but I do not have it
5 15 January 12, 2021
Max. Value of NaCl concentration?
1 7 January 7, 2021
Is any bugs in gmx angle?
11 134 July 29, 2020