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SVN archive Commit Log


Commit Date  
[r10747] by bugman

Added a system test script for testing the relative stereochemistry analysis.

2010-02-18 16:30:01 Tree
[r10746] by bugman

Shifted all the N-state model scripts into their directory.

2010-02-18 16:16:25 Tree
[r10745] by bugman

Created a directory for collecting all N-state model system test scripts together.

2010-02-18 16:12:26 Tree
[r10744] by bugman

Added the phthalic acid RDC data aligned in a PAN gel.

2010-02-18 16:10:22 Tree
[r10743] by bugman

Added a few Gromacs QM/MM snapshots.

This will be used for a stereochemistry analysis system test.

2010-02-18 16:08:35 Tree
[r10742] by bugman

The Grace plots are now being created.

The sorted results files were not been checked for in the results directory.

2010-02-18 16:05:55 Tree
[r10741] by bugman

STDOUT is now being restored after each stage.

STDOUT was being lost if logging was turned on!

2010-02-18 15:53:13 Tree
[r10740] by bugman

The stereochem_analysis auto-analysis is now placing all generated files into the desired results dir.

2010-02-18 15:48:48 Tree
[r10739] by bugman

The cwd is used if no results_dir arg is given.

2010-02-18 15:34:08 Tree
[r10738] by bugman

A results directory can now be specified in the stereochem_analysis auto-analysis.

This is not being used yet.

2010-02-18 15:32:06 Tree
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