AMBER Archive (2006)

Subject: AMBER: individual torsion/bond energies from a minimization

From: Thomas Pochapsky (pochapsk_at_brandeis.edu)
Date: Fri Jun 02 2006 - 08:25:33 CDT

Hi, I am trying to optimize torsions and angles for a metal cluster
bound to a polypeptide. I am looking for a way to get individual
angle/torsion/bond energy contributions to the total energy of the
system at the end of the minimization routine in Sander; my output
file has only the total energies. Is there a flag I am missing?

Thanks,
Tom Pochapsky
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