From: Sébastien Légaré (Sebastien.Legare_at_rsvs.ulaval.ca)
Date: Thu Dec 11 2008 - 15:05:07 CST
Is there a way to do or emulate single topology FEP in namd without fixing
atoms? Would an harmonic constraint between corresponding atoms of each state
be a valid method?
Ph. D. Student
Quebec, Canada, G1V 0A6
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