AMBER Archive (2008)

Subject: AMBER: who can give a sample input file regarding the energy decomposition with sander?

From: Yongmei Pan (amber20080905_at_gmail.com)
Date: Mon Sep 08 2008 - 15:41:37 CDT

Hi, All

I'm trying to calculate the binding energy between ligand and protein with
polarizable potentials leaprc.ff02(EP). I know the sander output file can
print out the interaction between individual residues with idecomp=1, but
just don't know the format on how to define the residues. Can anyone give me
a sample file? Thanks!

Yongmei Pan
Pharmaceutical Sciences, University of Kentucky

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu