Difference between revisions of "OBForceFieldMM2"

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# 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 ===
+
A partial implementation can be found in src/forcefields/forcefieldmm2.[h,cpp]. There are currently no plans to finnish this implementation because we allready have the ghemical and MMFF94 all-atom force fields.
==== Energy ====
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==== Parameters ====
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==== Forces ====
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=== Angle Bending ===
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=== Bend Stretching ===
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=== Torsional ===
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=== Out-Of-Plane Bending ===
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=== Van der Waals ===
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=== Electrostatic ===
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[[Category:Force_Fields]][[Category:Developer]]
 
[[Category:Force_Fields]][[Category:Developer]]

Latest revision as of 11:31, 15 December 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.

A partial implementation can be found in src/forcefields/forcefieldmm2.[h,cpp]. There are currently no plans to finnish this implementation because we allready have the ghemical and MMFF94 all-atom force fields.