[gmx-users] checkpoint files with replica exchange/ -multidir
Daniel Burns
dburns at iastate.edu
Thu Mar 12 20:38:57 CET 2020
Hello,
I'm using 2 replicas to test exchange conditions. I restarted a run and
included the checkpoint file name (which is identical in each directory
provided under the -multidir option). After the restart, I'm getting 100%
exchange when before it was 50%.
Does the -cpi option work properly for replica exchange/ multidir runs?
The only thing I changed was the exchange attempt frequency from every 4ps
to 1ps.
Thank you,
Dan
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