[gmx-users] (no subject)

[Berk Hess]

>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
>
>
>
>Hello all,
>
>We are trying to impliment REMD as it exists in the CVS code. We've 
>searched
>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 
>need
>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.

Berk.

_________________________________________________________________
Play online games with your friends with MSN Messenger 
http://messenger.msn.nl/