On Wed, Dec 26, 2012, Subrata Paul wrote:
>
> How can we used NMA (*N*-*Methylacetamide) *molecule in AMBER force filed?
NMA = sequence { ACE NME }
(in LEaP). We generally recommend ff12SB for proteins (and protein-like
fragments), although for NMA, I don't think much would have changed since the
original Cornell et al. force field.
...dac
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Received on Wed Dec 26 2012 - 06:00:04 PST
