Re: alchemical fep amber topology

From: George Madalin Giambasu (
Date: Fri Mar 13 2009 - 15:38:29 CDT


So, basically I will have to build a new residue that will have both the
lamda=0 and 1 pieces,
and the "alchfile" pdb file will differentiate in terms of excluding
list the growing, shrinking and "not changing at all"

all the best,


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