AMBER Archive (2007)Subject: AMBER: NH3 potential
From: Jennie Thomas (jenniet_at_uci.edu)
Date: Wed Jan 03 2007 - 15:00:28 CST
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.
Cheers,
Jennie Thomas
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
|