On Wed, Jul 31, 2013 at 4:08 AM, George Green <soyo.green.gmail.com> wrote:
> Thanks for the information. I was unaware that the non polar contribution
> could not be decomposed on a per-residue basis.
>
> However, how is it calculated normally from a stability calculation? There
> is no ECAVITY or SASA term in the main outfile (i.e the bit that is not
> decomposed). I only get the following output:
>
I believe you'll have to re-run without decomposition to get the non-polar
solvation free energies.
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Jul 31 2013 - 05:30:03 PDT
