[gmx-users] Gentle heating with implicit solvent

Gianluca Interlandi gianluca at u.washington.edu
Wed Aug 28 07:15:36 CEST 2013

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?



Gianluca Interlandi, PhD gianluca at u.washington.edu
                     +1 (206) 685 4435

Research Scientist at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.

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