How important is it to do gentle heating (using simulated annealing) with
GBSA? Often with explicit water it is enough to perform some equilibration
with positional restraints. Would it be enough to do the same with
implicit solvent?
Thanks,
Gianluca
-----------------------------------------------------
Gianluca Interlandi, PhD gianl...@u.washington.edu
+1 (206) 685 4435
http://artemide.bioeng.washington.edu/
Research Scientist at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.
http://healthynaturalbaby.org
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