From: Sebastian Stolzenberg (s.stolzenberg_at_gmail.com)
Date: Thu Mar 19 2009 - 13:11:10 CDT
Thank you everybody who responded to my last threads,
I do an ion->water FEP-transformation with the distance between the
particular ion and the water oxygen to be harmonically restrained to
zero Angstrom via tclforces.
The tclforces that are calculated&added at each step for this restraint,
do they show up in form of a "tclHamiltonian" that is added to the FEP
calculations (I hope not)?
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