[gmx-users] Replica exchange method

Marcus Kubitzki mkubitz at gwdg.de
Wed Aug 15 15:33:03 CEST 2007


Have a look at GMX/src/kernel/repl_ex.c

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.
> Regards
> 
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-- 
Marcus Kubitzki
Max Planck Institute for Biophysical Chemistry
Computational Biomolecular Dynamics Group
Am Fassberg 11
D-37077 Göttingen
Germany
phone: ++49-551-2012312
fax: ++49-551-2012302
Email: mkubitz[at]gwdg.de
www: http://www.mpibpc.mpg.de/groups/de_groot/



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