AMBER Archive (2007)

Subject: AMBER: Improper torsion terms

From: Pavan G (pavanamber_at_gmail.com)
Date: Thu Nov 01 2007 - 18:24:46 CST

Hello All,

I am trying to get a prep file for a molecule using antechamber. The
parameterization went well and I got a prep file that I could load and
manipulate. But when I looked at the log file, I found this
** Warning: No sp2 improper torsion term for c2-c3-c2-ha
** Warning: No sp2 improper torsion term for c3-c2-c2-c3
** Warning: No sp2 improper torsion term for c3-o-c2-os
Can somebody direct me to an appropriate source to obtain these parameters?

I looked around for those parameters in other MD forcefields but
couldn't find them. I am tending to think that parameters need to be
obtained form QM/MM (NWChem etc)
Comments and suggestions please.

Thank you,
Pavan Ghatty
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