| 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 |
| # | Content |
|---|---|
| 1 | 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 | } |