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root/group/trunk/OOPSE_old/forceFields/LJ_FF.frc
Revision: 367
Committed: Wed Mar 19 17:29:49 2003 UTC (21 years, 3 months ago) by mmeineke
File size: 380 byte(s)
Log Message:
*** empty log message ***

File Contents

# Content
1 ! 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 mass LJ epsilon ( kcal/mol) LJ sigma (Angstroms)
8
9 CH4 16.05 0.279 3.73
10 CH3 15.04 0.185 3.75
11 CH2 14.03 0.0866 3.95
12 Ar 39.95 0.23806656 3.41
13 He 4.003 0.02026944 2.28
14 Ne 20.18 0.0933984 2.72