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 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
