AMBER Archive (2004)

Subject: RE: AMBER: antechamber - missing improper torsions

From: Junmei Wang (
Date: Wed Jul 21 2004 - 11:11:04 CDT

Hi, Oliver,
I will suggest to add the missing improper torsional angle parameters
yourself. You may use the default value of "1.1 180.0 2.0" in most of
the cases.



Dear Amber users/developers,

using antechamber (of amber8) I have prepared prepin and frcmod files
for various small molecules. Using these files with leap I noticed lots
of warnings in the leap.log file like e.g.:

No sp2 improper torsion term for c2-ha-c2-c3
No sp2 improper torsion term for ca-ha-ca-ca

Can I safely ignore such warnings or am I supposed to add such
parameters to the frcmod file?

Thanks very much!


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