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. -- Best, Liang Liu
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