AMBER Archive (2006)

Subject: AMBER: The VDW correctioin

From: J. Zhang (
Date: Sun Dec 03 2006 - 20:29:28 CST

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

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