[gmx-users] REMD problem
liu4gre at gmail.com
Wed Sep 28 19:56:23 CEST 2011
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.
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