Commit | Date | |
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[r10939]
by
bugman
All of the relevant status information about the dAuvergne_protocol auto-analysis is being stored. This includes: |
2010-02-25 13:37:11 | Tree |
[r10938]
by
bugman
The Monte Carlo simulation number is now present in the status singleton. The value of status.mc_number is set to the simulation number (starting at 0) and at the end is |
2010-02-25 12:52:35 | Tree |
[r10937]
by
bugman
Addition of the relax status singleton object. See https://mail.gna.org/public/relax-devel/2010-01/msg00094.html and other related posts in the The idea is that various parts of relax deposit status information into here that other parts of |
2010-02-25 11:36:30 | Tree |
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 |