[gmx-users] simulated annealing (SA)

shahab shariati shahab.shariati at gmail.com
Wed Apr 28 10:10:15 CEST 2010


Hi gromacs users


about SA simulation, I saw in some papers that annealing _time is very
short. fpr example [The temperature was increased from 0 to 600 K over the
first 4 ps, held at 600 K for 2 ps, and then slowly cooled to 0 K over 14 ps
in simulation of protein-dna]. Is there limitation in election of annealing
_time? what is optimum value for annealing _time?

 Any help will highly appreciated!
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