Revision: | 1073 |
Committed: | Sat Feb 28 16:45:57 2004 UTC (21 years, 2 months ago) by mmeineke |
Content type: | text/plain |
File size: | 230 byte(s) |
Log Message: | finished the rmsd coding. hasn't been debugged |
# | User | Rev | Content |
---|---|---|---|
1 | mmeineke | 1052 | #ifndef __TCPROPS_H__ |
2 | #define __TCPROPS_H__ | ||
3 | mmeineke | 1049 | |
4 | mmeineke | 1052 | |
5 | mmeineke | 1073 | enum atomNames { HEAD, CH, CH2, CH3, SSD, COM }; |
6 | mmeineke | 1049 | |
7 | struct atomCoord{ | ||
8 | enum atomNames type; | ||
9 | double pos[3]; | ||
10 | double vel[3]; | ||
11 | double u[3]; | ||
12 | mmeineke | 1062 | double mass; |
13 | mmeineke | 1049 | }; |
14 | mmeineke | 1052 | |
15 | |||
16 | #endif // __TCPROPS_H__ |