Thank you for your help. That clarifies why I couldn't find any
information.
Nadia Vahdati
Quoting "David A. Case" <case.scripps.edu>:
> On Wed, Nov 01, 2006, nadiav.soton.ac.uk wrote:
> >
> > Is it possbile to use Chloroform or other solvents in GBSA apart from
> water
> > and how?
>
> Basically, implicit solvation in Amber is only for water. You could try
> to use
> a lower value of extdiel, but that probably doesn't capture the real
> behavior
> of chloroform. Among other things, the GB radii are optimized for water
> simulations, not for any other solvent.
>
> ...dac
>
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Received on Sun Nov 05 2006 - 06:07:10 PST
