----- Original Message ----- From: henri mone <[email protected]> Date: Friday, September 17, 2010 9:36 Subject: [gmx-users] Extending REMD simulation To: [email protected], [email protected]
> 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 :( . You simply need an iterative approach on the same lines as for a normal simulation. See http://www.gromacs.org/Documentation/How-tos/Extending_Simulations Mark
-- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
