[gmx-users] setting up simulated annealing

Seera Suryanarayana palusoori at gmail.com
Sat Aug 19 12:18:36 CEST 2017

Dear gromacs users,

I have one peptide which has 25 residues. I have done simulation for 100ns.
When I presented my analysis in lab, I was suggested to do investigation of
my simulation by simulated annealing. Then I have gone through the
simulated annealing notes which I found on gromacs website and I got some
idea to do simulated annealing. I added the annealing points and
temperatures in my .mdp file as follow.

;simulated annealing
Graduate student

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