Commit | Date | |
---|---|---|
2010-02-25 04:58:46 | Tree | |
[r10935]
by
michaelbieri
Limited Monte Carlo number was removed. This was only used to thest the progress bar of the controller. |
2010-02-25 04:57:54 | Tree |
2010-02-25 04:56:50 | Tree | |
2010-02-25 04:56:08 | Tree | |
2010-02-25 04:55:25 | Tree | |
[r10931]
by
michaelbieri
Output file are better labled. E.g. a R2 output file at 600 MHz will be 'r2_600.out'. In addition. grace will not open automatically after the calculation. |
2010-02-25 04:52:51 | Tree |
[r10930]
by
michaelbieri
No spins are deselected if no spins / residues are indicated. A fix has to be done if spins /residues are deselcted. Best will be to create a file listing these residues / spins. |
2010-02-25 04:50:48 | Tree |
2010-02-25 04:47:54 | Tree | |
2010-02-25 04:47:04 | Tree | |
2010-02-25 04:46:15 | Tree |