AMBER: The VDW correctioin

From: J. Zhang <jzhang.biophy.nju.edu.cn>
Date: Mon, 4 Dec 2006 10:29:28 +0800

Dear AMBER users,

By reading the AMBER code, I found a subroutine named vdw_correction()
that is used to get analytic estimate of energy and virial corrections
due to dispersion interactions beyond the cutoff. Could anybody tell me
how the correction is calculated or give me a reference taking about it.

Thank you very much!

---
J. Zhang, Dr.
Institute of Biophysics
Nanjing University
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu

Received on Wed Dec 06 2006 - 06:07:20 PST