[gmx-users] energygrps and simulation run time

Hi, Does the use of energy groups (energygrps) in the *.mdp file may cause some slow down in the simulation running time? Thanks, Amir -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at

Re: [gmx-users] energygrps and simulation run time

Amir Marcovitz wrote: Hi, Does the use of energy groups (energygrps) in the *.mdp file may cause some slow down in the simulation running time? Certainly not in the case of just a few groups. If you have tons of energy terms to write, then it's possible that the disk I/O is causing some