AMBER: NH3 potential

From: Jennie Thomas <>
Date: Wed, 3 Jan 2007 13:00:28 -0800

Hi Amber Experts,

I'm looking for a non-polarizable NH3 potential, should I trust the
way charges are assigned to NH3 using GAFF? Or, does anyone out
there have a recommended potential to use? I'm planning to look at
NH3 mixed with water, so the NH3 potential I use it needs to be
compatible with one of the standard water models (however I haven't
quite decided which one to use yet). Does anyone have a
recommendation? Thanks in advance for any advice.

Jennie Thomas
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun Jan 07 2007 - 06:07:14 PST
Custom Search