[gmx-users] Extending REMD simulation

henri mone 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 [1] but there was no reply to it :( .

Any help is welcome.


1: http://lists.gromacs.org/pipermail/gmx-users/2008-September/036534.html

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