tclforces included in the NAMD-FEP \delta_G values?

From: Sebastian Stolzenberg (
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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