[gmx-users] J-walking REMD
David Parcej
parcej at biochem.uni-frankfurt.de
Wed Jan 27 09:00:34 CET 2010
Dear All
Some time ago there was a discussion concerning the problems of REMD for
large systems and the possibility of using the REST implementation of
the method.
Mark, you mentioned that you had coded an implementation Okur method
(JCTC, 2006, 2, 420). How did it work and can you make this available?
Any other thoughts on REMD for large systems are also appreciated.
cheers
David
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Dr David Parcej,
Goethe Universitat Frankfurt,
Institut für Biochemie,
Biozentrum N210/1.04,
Max-von-Laue-Strasse 9,
60438 Frankfurt am Main,
Germany
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