Revision: | 377 |
Committed: | Fri Mar 21 17:42:12 2003 UTC (21 years, 6 months ago) by mmeineke |
File size: | 380 byte(s) |
Log Message: | New OOPSE Tree |
# | 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 |