Revision: | 1334 |
Committed: | Fri Jul 16 18:58:03 2004 UTC (20 years, 2 months ago) by gezelter |
File size: | 311 byte(s) |
Log Message: | Initial import of OOPSE-1.0 source tree |
# | 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 |