Revision: | 559 |
Committed: | Thu Jun 19 22:02:44 2003 UTC (21 years, 2 months ago) by mmeineke |
File size: | 380 byte(s) |
Log Message: | slowly converting to new integrator and forcefield names. |
# | User | Rev | Content |
---|---|---|---|
1 | mmeineke | 559 | ! 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 |