AMBER Archive (2008)

Subject: AMBER: Bond-angle-dihedral-improper-vdw energy terms for part of a system

From: Pavan G (pavanamber_at_gmail.com)
Date: Thu May 22 2008 - 10:37:56 CDT

Hello All,
I have a few nanoseconds of data with a protein in solvent and would like to
calculate the bond/angle/dihedral/improper/vdw for the protein alone at
every time step. I generated a protein-only subset of the trajectory and a
topology file as well. Is there a code to read through the trajectory and
give the energies as the output? It should be fairly easy to write one but I
was wondering if this has already been done.
Thanks.
Pavan

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