[gmx-users] how to control temperature

Mitchell Stanton-Cook s4026869 at student.uq.edu.au
Mon Apr 7 05:30:35 CEST 2008

You can do this with simulated annealing which is implemented in gromacs.

See the simulated annealing section in the manual.



Rui Li wrote:
> Hi all,
> I want the temperature is gradually increased by heating from 0 to 300 K for
> the first 20 ps, and then it is kept at 300 K for the next 100ps.How can I do this
> in gromacs?
> Thanks in advance!
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