[gmx-users] Extending REMD simulation
henrimone at gmail.com
Fri Sep 17 01:36:19 CEST 2010
Dear Gromacs experts,
I started a REMD simulation which terminated succesfully after 4830ps.
I now want to extend it to 50ns.
I'm using Gromacs 4.0.3 which supports checkpoint files. I got now
around 40 files with the ending "*.cpt" and "*_prev.cpt".
I couldn't find any documentation on how to extend a REMD simulation
via checkpoint file.
The only mailinglist post I found was  but there was no reply to it :( .
Any help is welcome.
More information about the gromacs.org_gmx-users