Revision: | 2106 |
Committed: | Thu Mar 10 18:44:02 2005 UTC (19 years, 6 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 | } |