[gmx-users] (no subject)
gmx3 at hotmail.com
Tue May 10 18:16:55 CEST 2005
>From: ksr at chemistry.umass.edu
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: David van der Spoel <spoel at xray.bmc.uu.se>
>CC: gmx-users at gromacs.org
>Subject: [gmx-users] (no subject)
>Date: Tue, 10 May 2005 12:12:41 -0400
>We are trying to impliment REMD as it exists in the CVS code. We've
>the mailing list and have found that we are supposed to use the flag -repex
>with the mdrun command. We've searched the CVS code (downloaded today) and
>have found no instances of the string "repex" in the code.
>Could you tell us what the imput parameters are to run REMD? What do we
>to prepare a REMD run beyond what is needed for the normal md run?
The option is -replex
mdrun -h gives you help
There is a section on replica exchange in the CVS manual.
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