[gmx-users] How to decrease the temperature during a MD?

Martin Höfling martin.hoefling at gmx.de
Thu Mar 27 23:51:13 CET 2008

Am Donnerstag, 27. März 2008 schrieb Priscila Capriles Goliatt:

> I would like know if the gromacs version 3.2 performs a molecular dynamic
> simulation starting with a high temperature and decreasing in each step
> until a low temperature. How I can do something like this?

Are you thinking about simulated annealing? The parameters for this are 
described in 3.3 manual.


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