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root/group/trunk/OOPSE-1.0/forceFields/DipoleTest.frc
Revision: 1334
Committed: Fri Jul 16 18:58:03 2004 UTC (20 years ago) by gezelter
File size: 311 byte(s)
Log Message:
Initial import of OOPSE-1.0 source tree

File Contents

# User Rev Content
1 gezelter 1334 ! This is the forcefield file for the TraPPE force field.
2     ! the sections are divided into AtomTypes, BondTypes, BendTypes,
3     ! and TorsionTypes.
4    
5    
6     #AtomTypes
7     !Atom isDipole mass LJ epsilon ( kcal/mol) LJ sigma (Angstroms) Dipole Moment (Debye)
8    
9     SSD 1 18.03 0.152 3.051 2.35
10     Ar 0 39.95 0.226 3.41