AMBER Archive (2006)

Subject: AMBER: Question bonds and angles in frcmod and lib files

From: Jennie Thomas (jenniet_at_uci.edu)
Date: Wed May 03 2006 - 03:02:55 CDT

Hello Amber community,

I'm trying to more completely understand the information contained in
frcmod and lib files. I would like to change from using an angle to
constrain the geometry of my molecule to using an artificial bond with a
given force constant. I understand how to add a bond to both the lib
file and to the frcmod file. However, I don't understand how to delete
an angle from these files.

Any help you can give regarding this issue would be extremely helpful.

With thanks,
Jennie Thomas
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