[gmx-users] periodic excitation

Vitaly V. Chaban vvchaban at gmail.com
Tue Jan 19 10:16:34 CET 2010

Hi all,

I'd like to simulate a situation when a molecule periodically obtains
a portion of kinetic energy. E.g. it is not tight thermostating during
all the run but sometimes the temperature should become a bit bigger
and then a molecule should relax without thermostating.

Please suggest me what is the best way to perform this in gromacs?
Some annealing scheme?

Thanks a lot in advance!
Vitaly V. Chaban, Ph.D.

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