relax SVN archive
Molecular dynamics by NMR data analysis
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Commit | Date | |
---|---|---|
[r7667]
by
bugman
Created a new script to test out the handling of Modelfree4 with PDB files and spheroid diffusion. |
2008-10-12 16:57:33 | Tree |
2008-10-12 16:46:57 | Tree | |
[r7665]
by
bugman
Modified the Modelfree4 system test to use a PDB file and spheroid diffusion tensor. |
2008-10-12 16:46:27 | Tree |
2008-10-12 16:45:21 | Tree | |
[r7663]
by
bugman
Fix for running Modelfree4 - the structure is properly copied in the create_run() method. |
2008-10-12 16:43:27 | Tree |
2008-10-12 16:37:04 | Tree | |
2008-10-12 16:35:17 | Tree | |
[r7660]
by
bugman
Fix for the loading of global data from the mfout file. This only happens when a global model is optimised. The parameters and chi2 value are in the mfout |
2008-10-12 16:33:46 | Tree |
2008-10-12 16:23:12 | Tree | |
2008-10-12 16:22:02 | Tree |