28 Mar
2017
28 Mar
'17
3:51 p.m.
Dear IMP,
I ran ReplicaExchange on multiple CPU's with MPI and have all the rmfs and logs in the output dir. I would like to recreate the simulation trajectory in a single rmf in the order that the conformations were scored. Is there a way to dig that order information out of the log files somehow?
Thanks, Julian