N-J.M. Macaluso wrote:
Hi,
I have a question regarding the implementation of temperature replica
exchange MD (TREMD) in the development version of Gromacs. Is it
possible to simulate more than one replica on one processor? As far as I
know, the distributed version 3.3 can only accept one replica per
processor.
In principle yes (it is implemented). Be careful about the CVS version
because it is still under rapid development.
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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