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
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Received on Sun Jan 07 2007 - 06:07:14 PST
