[gmx-users] simulated annealing (SA)

shahab shariati shahab.shariati at gmail.com
Sat Apr 24 06:02:38 CEST 2010


Hi all

For simulated annealing simulation, except things mentioned as follow,what
things should be in mdp file?

integrator

dt

nsteps

annealing

annealing npoints

annealing time

annealing temp

tcoupl

tc_ grps

tau_t

ref_ t

Any help will highly appreciated!
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