AMBER Archive (2004)

Subject: RE: AMBER: antechamber - missing improper torsions

From: Junmei Wang (jwang_at_encysive.com)
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.

Best

Junmei

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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu