Re: ABF question

From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Wed Jan 27 2010 - 04:18:13 CST

Hi Austin,
It is, to the extent that the reaction coordinate is coupled to
everything else in the system.
Jerome

2010/1/27 Austin B. Yongye <ybausty_at_yahoo.com>:
> Dear all:
> When calculating the free energy profile along a reaction coordinate, is that the free energy for the entire system (solute and solvent)? I am not quite certain, given that the cartesian forces are acting only on the atoms in the reaction coordinates.
>
> Thanks,
> Austin-
>

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