[gmx-users] Launching Replica Exchange MD

Bob Johnson robertjo at physics.upenn.edu
Mon Dec 18 19:55:39 CET 2006


Hello everyone,
I can't seem to find how to start a replica exchange MD job. I have a separate
.tpr file for each replica. How do I give these to mdrun? Also, for debugging
purposes I wanted to run a few of my replicas on the same node (otherwise I
have to wait in a queue) just to make sure my acceptance ratio is what I think
it should be. Is this possible?
Thanks,
Bob



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