Author: bugman
Date: Wed Nov 25 18:38:18 2015
New Revision: 28110
URL: http://svn.gna.org/viewcvs/relax?rev=28110&view=rev
Log:
Added the Gromacs PCA results for the distribution.pdb file.
This includes a script used to execute all parts of Gromacs and all output
files.
Added:
trunk/test_suite/shared_data/structures/pca/gromacs/
trunk/test_suite/shared_data/structures/pca/gromacs/average.pdb
trunk/test_suite/shared_data/structures/pca/gromacs/covar.eps
trunk/test_suite/shared_data/structures/pca/gromacs/covar.log
trunk/test_suite/shared_data/structures/pca/gromacs/covar.m2p
trunk/test_suite/shared_data/structures/pca/gromacs/covar.xpm
trunk/test_suite/shared_data/structures/pca/gromacs/eigenval.xvg
trunk/test_suite/shared_data/structures/pca/gromacs/eigenvec.trr
trunk/test_suite/shared_data/structures/pca/gromacs/exec.sh (with props)
trunk/test_suite/shared_data/structures/pca/gromacs/fws-ev1.pdb
trunk/test_suite/shared_data/structures/pca/gromacs/proj-1-2.xvg
trunk/test_suite/shared_data/structures/pca/gromacs/proj-2-3.xvg
trunk/test_suite/shared_data/structures/pca/gromacs/proj-3-4.xvg
[This mail would be too long, it was shortened to contain the URLs only.]
Added: trunk/test_suite/shared_data/structures/pca/gromacs/average.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/structures/pca/gromacs/average.pdb?rev=28110&view=auto
Added: trunk/test_suite/shared_data/structures/pca/gromacs/covar.eps
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/structures/pca/gromacs/covar.eps?rev=28110&view=auto
Added: trunk/test_suite/shared_data/structures/pca/gromacs/covar.log
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/structures/pca/gromacs/covar.log?rev=28110&view=auto
Added: trunk/test_suite/shared_data/structures/pca/gromacs/covar.m2p
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/structures/pca/gromacs/covar.m2p?rev=28110&view=auto
Added: trunk/test_suite/shared_data/structures/pca/gromacs/covar.xpm
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/structures/pca/gromacs/covar.xpm?rev=28110&view=auto
Added: trunk/test_suite/shared_data/structures/pca/gromacs/eigenval.xvg
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/structures/pca/gromacs/eigenval.xvg?rev=28110&view=auto
Added: trunk/test_suite/shared_data/structures/pca/gromacs/eigenvec.trr
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/structures/pca/gromacs/eigenvec.trr?rev=28110&view=auto
Added: trunk/test_suite/shared_data/structures/pca/gromacs/exec.sh
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/structures/pca/gromacs/exec.sh?rev=28110&view=auto
Added: trunk/test_suite/shared_data/structures/pca/gromacs/fws-ev1.pdb
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/structures/pca/gromacs/fws-ev1.pdb?rev=28110&view=auto
Added: trunk/test_suite/shared_data/structures/pca/gromacs/proj-1-2.xvg
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/structures/pca/gromacs/proj-1-2.xvg?rev=28110&view=auto
Added: trunk/test_suite/shared_data/structures/pca/gromacs/proj-2-3.xvg
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/structures/pca/gromacs/proj-2-3.xvg?rev=28110&view=auto
Added: trunk/test_suite/shared_data/structures/pca/gromacs/proj-3-4.xvg
URL:
http://svn.gna.org/viewcvs/relax/trunk/test_suite/shared_data/structures/pca/gromacs/proj-3-4.xvg?rev=28110&view=auto
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