| Revision: | 1770 |
| Committed: | Tue Jul 24 19:18:19 2012 UTC (12 years, 9 months ago) by gezelter |
| File size: | 257 byte(s) |
| Log Message: | Adding some RNEMD interface samples |
| # | User | Rev | Content |
|---|---|---|---|
| 1 | gezelter | 1770 | tolerance 4.0 |
| 2 | output test.xyz | ||
| 3 | filetype xyz | ||
| 4 | structure Au_Thiols_FullCoverage.xyz | ||
| 5 | number 1 | ||
| 6 | center | ||
| 7 | fixed 0. 0. 0. 0. 0. 0. | ||
| 8 | end structure | ||
| 9 | structure hexane.xyz | ||
| 10 | number 400 | ||
| 11 | inside box -12.8961549 -10.8980698 -73. 12.8961549 10.8980698 73 | ||
| 12 | end structure | ||
| 13 |