AMBER Archive (2004)

Subject: Re: AMBER: antechamber - missing improper torsions

From: German Sciaini (gsciaini_at_q1.fcen.uba.ar)
Date: Tue Jul 20 2004 - 08:04:17 CDT

Hi, try to define improper torsion in the frcmod file. You can find a list
of typical improper torsion in the main parameter file
.../amber8/leap/parm/xxxxx.dat.
Good Luck!

G.

At 11:58 a.m. 19/07/2004 -0700, you wrote:

>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!
>
>Oliver
>
>
>
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