You can do this with simulated annealing which is implemented in gromacs.
See the simulated annealing section in the manual.
Cheers
Mitch
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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