From: Puspita Halder (puspitah_at_gmail.com)
Date: Wed May 23 2012 - 07:45:48 CDT
I have been working on protein folding problem for the last few months. I
have some high temperature (400K, 500K) euilibrated trajectories of my
protein with which I would like to adopt the simulated annealing procedure.
Is this doable beacause in most of the cases I saw that this technique
employs the heating as well as the cooling phase. Can I skip the heating
phase if I start directly from the high temerature structures ? Another
thing is what should be the step size for temperature decrease and the
number of iterations for each step in the loop of the simulated annealing
Thanks for your help in advance.
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