About the 'mixing' rule of nonbonded parameters

From: Lu <zhonglu_at_uni-wuppertal.de>
Date: Fri 29 Oct 1999 14:12:09 +0200

Hi, friend:
  I'm programming based on AMBER 3.0 because of its comparatively simple
structure. Can anyone tell me what is the mixing rule of nonbonded
parameters in Amber 3.0? ( I've heard that for van der Waals radius,
Amber3.0 had used a geometric average: Rij = (Rii*Rjj)**0.5. If it's
true, why? )

  Best regards,

  Zhong-Yuan Lu
  Department of Physics
  Bergische Universitat-GH Wuppertal
Received on Fri Oct 29 1999 - 05:12:09 PDT
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