[gmx-users] Temperature

David spoel at xray.bmc.uu.se
Thu May 26 20:51:26 CEST 2005


On Thu, 2005-05-26 at 14:21 -0400, Anthony Cruz wrote:
> Hi users:
> I want to know a method for slowly increase the temperature in a MD run???
simulated annealing, check  mdp options
> 
> Thanks 
> Anthony
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-- 
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
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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