[gmx-users] Replica exchange log file inconsistent with mdrun -replex
Dejun Lin
dejun.lin at gmail.com
Tue Jul 30 20:36:54 CEST 2013
Hi all,
I'm running a replica exchange simulation using gromacs 4.6.3 with the
command line:
mdrun_mpi -deffnm remd_ -multi 64 -replex 100 -nex 262144
I was expecting to get a log entry about the exchange every 100 steps but I
only got one every 1000 steps. I wonder if the output was suppressed
somehow or it was not exchanging at the right frequency?
Thanks,
Dejun
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