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

Julián GC wrote: Thanks for your help, Mark. I cannot demux the trajectories, because I'm running each box at with a different temperature and with a different initial configuration (appropiate to that temperature) (This, combined with the replica exchange, is usually called "parallel temper

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

Thanks for your help, Mark. I cannot demux the trajectories, because I'm running each box at with a different temperature and with a different initial configuration (appropiate to that temperature) (This, combined with the replica exchange, is usually called "parallel tempering"). Checking the

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

Julián GC wrote: Hi all, I'm studying small water clusters with Gromacs 3.3 (I'm also performing MC with a self-writed MC program). I run 24 boxes in paralell, with -replex 10 (it is important to use replica exchange). I need to get MSD results, but I don't think g_msd takes into accou

[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