Difference between revisions of "OBForceFieldMM2"

From Open Babel
Jump to: navigation, search
 
Line 1: Line 1:
 
 
This class implements the [http://en.wikipedia.org/wiki/MM2 MM2] force field, developed by Allinger:
 
This class implements the [http://en.wikipedia.org/wiki/MM2 MM2] force field, developed by Allinger:
  
[1] Allinger, N. L., J. Amer. Chem. Soc., 99, 8127 (1977).
+
# Allinger, N. L., J. Amer. Chem. Soc., 99, 8127 (1977).
[2] Burkert, U. and N. L. Allinger, Molecular Mechanics, American Chemical Society: Washington, DC, 1982.
+
# Burkert, U. and N. L. Allinger, Molecular Mechanics, American Chemical Society: Washington, DC, 1982.
  
 
=== Bond Stretching ===
 
=== Bond Stretching ===

Revision as of 11:04, 15 February 2007

This class implements the MM2 force field, developed by Allinger:

  1. Allinger, N. L., J. Amer. Chem. Soc., 99, 8127 (1977).
  2. Burkert, U. and N. L. Allinger, Molecular Mechanics, American Chemical Society: Washington, DC, 1982.

Bond Stretching

Energy

Parameters

Forces

Angle Bending

Bend Stretching

Torsional

Out-Of-Plane Bending

Van der Waals

Electrostatic