[AMBER] bond length energy

From: Thomas Lake <thomas.lake08.imperial.ac.uk>
Date: Wed, 17 Jun 2009 15:04:55 +0100

Hi,

Is there a function for calculating the bond length energy between a
pair of atoms in a molecule? In my case I want to calculate the bond
length energy of a disulfide (S-S) bond, as a function of time. I can
calculate the bond distance using ptraj.

Thanks

Thomas Lake
Imperial College London


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jul 06 2009 - 09:54:24 PDT