GROMACS user forum


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About the GROMACS user forum category
1 37 April 24, 2020
Welcome to GROMACS forum

Here you find and provide support to 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…

5 90 May 11, 2020
Grompp fails by md or sd as integrator
3 16 May 25, 2020
Correcting Periodicity in GMX
5 22 May 25, 2020
Creating mixed crystals with insert-molecules
3 10 May 25, 2020
“Your system isn’t well equilibriumed”
2 1 May 25, 2020
Duplicate atom index error
1 1 May 25, 2020
Gmx mdrun -deffnm md_0_1 -nb gpu ** GPU command line error
5 10 May 24, 2020
Simulation won't run, time spent in pair searching
2 7 May 24, 2020
Velocity generation in the nvt, npt and md.mdp files
3 11 May 23, 2020
Gmx genconf
3 15 May 23, 2020
How to solve 'Unknown bond_atomtype error'?
4 12 May 22, 2020
How to concatenate the pullf.xvg files
5 22 May 22, 2020
Mdrun , running simulation on over 10 GPUS machines
2 9 May 22, 2020
Polarizable forcefields
1 14 May 21, 2020
Decoupling Multiple Species during Free Energy Calculations
4 10 May 21, 2020
Topology include file "...forcefield.itp" not found
6 13 May 21, 2020
Charges of residues
2 9 May 21, 2020
How to solve Lincs warning in free energy calculation
7 43 May 21, 2020
How do I install GROMACS (Windows 10)?!
3 30 May 21, 2020
CO2 viscosity
3 29 May 21, 2020
Question on domain decomposition grid error
3 17 May 20, 2020
Direction of pulling using direction-periodic
4 16 May 20, 2020
Gromacs Installation error
4 37 May 20, 2020
Segmentation fault when running gmx mdrun
3 25 May 20, 2020
Inconsistent energies when extending simulations
2 18 May 20, 2020
How to solve LINCS error during NVT/NPT equilibration step
6 38 May 20, 2020
Error in implementing LJPME in gromacs-2020.1
8 47 May 19, 2020
How to solve error of 498 particles communicated to PME rank 5 are more than 2/3 times the cut-off?
4 36 May 19, 2020
Angular velocity autocorrelation function calculation
10 24 May 19, 2020