AMBER: missing impropers for nitros?

From: David Mobley <>
Date: Fri, 11 May 2007 17:03:55 -0700

Junmei and all,

I'm running ANTECHAMBER and LEAP to try and generate GAFF parameters
for a variety of small molecules, and I keep getting warnings about
missing improper torsions for pretty much everything with a nitro
group (for example, 1-nitrobutane gives me a warning about "No sp2
improper torsion term for c3-o-no-o".

Can anyone shed some insight here? Why is there a nitro type but no
improper torsion for these?

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Received on Sun May 13 2007 - 06:07:39 PDT
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