AMBER Archive (1999)

Subject: About the 'mixing' rule of nonbonded parameters

• Next message: Marcela Madrid: "MACHINE file to use"
• Previous message: Carolyn A. Kanagy: "H-bond monitor"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]

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
  Germany

• Next message: Marcela Madrid: "MACHINE file to use"
• Previous message: Carolyn A. Kanagy: "H-bond monitor"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ]