[gmx-users] Replica exchange method
Mark.Abraham at anu.edu.au
Wed Aug 15 17:06:29 CEST 2007
priya priya wrote:
> Dear all,
> i want to start with the replica exchange method in gromacs, but i am
> not able to search the script for that in the program.
> Can anybody tell me by what name it is in the program and the location,
> as i want to look into the program before starting.
Please describe what you're trying to do. There are no "scripts"
involved. I don't know whether you're trying to use REMD, or inspect the
source code :-) Either way, reading the manual section on REMD has to be
a good start.
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