[gmx-users] Gentle heating with implicit solvent

[Gianluca Interlandi]

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

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Gianluca Interlandi, PhD gianluca at 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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