[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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