[AMBER] NMA(n-methylacetamide)

From: Subrata Paul <paul.subrata34.gmail.com>
Date: Fri, 8 Feb 2013 15:42:31 +0530

Dear Sir,

I have saved my NMA molecule in amber ff12SB force field
NMA=sequence{ACE NME}

when I checked the charges for the NMA molecule in the reference JACS
1993, 115, 9620,
It is different than the above.

Why this is ?
can any one suggest me?

-- 
*With Best Regards
Subrata
PhD Student
Dept of Chemistry.
IIT G
*
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Received on Fri Feb 08 2013 - 02:30:02 PST