[AMBER] organics solvent radius

From: setyanto md <stwahyudi.md.gmail.com>
Date: Tue, 20 Mar 2012 13:04:23 +0700

Dear Amber user and developer
I am trying to run APBS
Instead of using water as solvent environment, I want to use organics
solvent, i.e n-Hexane, and acetonitrile.

I want to know what is the radius of n-Hexane and acetonitrile.
I've been try found in internet, some paper said for n-Hexane has effective
molecular diameter aproximately is 6 angstrom, is it correct ?

Thank you for your help

Setyanto Tri Wahyudi
AMBER mailing list
Received on Mon Mar 19 2012 - 23:30:04 PDT
Custom Search