[gmx-users] simulated annealing (SA)

shahab shariati shahab.shariati at gmail.com
Sat Apr 24 14:14:53 CEST 2010


Dear Justin

thanks for your attention

In mdp file, if annealing_temp and annealing_time values are as follow:

annealing_temp = 200  700  600  500  400  300
annealing_time =    0    30    40   50    60    70

so, dt and nsteps have to determine such that time of SA simulation be 70.
is it true?
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