[gmx-users] REMD problem

Liu, Liang liu4gre at gmail.com
Wed Sep 28 19:56:23 CEST 2011

Hi everyone,
I tried to use Gromacs to run REMD simulation.
Firstly a set of (md#).mdp file are make and the grompp command can generate
the same amount of (md#).tpr file.
Assume # = 10,
then I tried to run REMD as mdrun -s md.tpr -np 10 -replex 10.

However, a fetal error shows as "Need at least two replicas for replica
exchange (option -multi)", what is this for? Thanks.

Liang Liu
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110928/4f05305a/attachment.html>

More information about the gromacs.org_gmx-users mailing list