[gmx-users] g_msd, REMD, trestart...

n blocks longer than 100ps, I'm gonna have to try something else, at least reducing the replica exchange frequency Thanks again, bye, Julian Mark Wrote: >Julián GC wrote: >> >> >> Hi all, >> >> I'm studying small water clusters with Gromacs 3.3 (I&#x

[gmx-users] g_msd, REMD, trestart...

Hiall, I'm studying small water clusters with Gromacs 3.3 (I'malso performing MC with a self-writed MC program). I run 24 boxesin paralell, with -replex 10 (it is important to use replicaexchange). I need to get MSD results, but I don't thin