VMD-L Mailing List

From: setyanto md (stwahyudi.md_at_gmail.com)
Date: Tue Mar 20 2012 - 01:03:29 CDT

Dear VMD User and Developer,

I am trying to run APBS using VMD.
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

Regards,
Setyanto Tri Wahyudi

Computational Biochemistry Laboratory
Study Programme of Chemistry - Institut Teknologi Bandung