| Revision: | 2106 |
| Committed: | Thu Mar 10 18:44:02 2005 UTC (19 years, 4 months ago) by tim |
| File size: | 364 byte(s) |
| Log Message: | adding test case for split dipole |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | tim | 2106 | molecule { |
| 2 | |||
| 3 | name = "HEAD"; | ||
| 4 | nAtoms = 3; | ||
| 5 | |||
| 6 | atom[0]{ | ||
| 7 | type = "HDP"; | ||
| 8 | position( 0.0,0.0, 0.0 ); | ||
| 9 | orientation( 0.0, 0.0, 0.0 ); //? | ||
| 10 | } | ||
| 11 | |||
| 12 | atom[1]{ | ||
| 13 | type = "NC4"; | ||
| 14 | position( 0.0, 0.0, 2.315 ); | ||
| 15 | } | ||
| 16 | |||
| 17 | atom[2]{ | ||
| 18 | type = "PO4"; | ||
| 19 | position( 0.0, 0.0, -2.315 ); | ||
| 20 | } | ||
| 21 | |||
| 22 | nRigidBodies = 1; | ||
| 23 | rigidBody[0]{ | ||
| 24 | nMembers = 3; | ||
| 25 | members(0, 1, 2); | ||
| 26 | } | ||
| 27 | |||
| 28 | } |