[gmx-users] replica exchange

Ilya Chorny ichorny at maxwell.compbio.ucsf.edu
Fri Nov 21 20:42:00 CET 2003


Has anyone done replica exchange in gromacs. (i.e written the scripts to
due replica exchange). It seems like it would be pretty straight forward
but I don't want to reinvent the wheel if its already been invented.

Thanks

Ilya
-- 
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Ilya Chorny Ph.D.         Department of Pharmaceutical Chemistry
Postdoctoral Researcher   University of California-San Francisco
phone: (408)-887-8496     Genentech Hall 600 16th St Box 2240
fax: (415)502-1411        San Francisco, Ca, 94107
            email: ichorny at maxwell.ucsf.edu
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