Re: AMBER: RDII and epsilon of ho and hw wrong in gaff.dat ??!!!

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Thu, 29 Jun 2006 16:46:17 -0700 (PDT)

In TIP3 water, H's have no radius and O's have 'fat' radius to
enclose them. Perhaps this is the intended use for ho and likely
for hw in gaff.

Bill
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Sun Jul 02 2006 - 06:07:14 PDT
Custom Search