r28110 - /trunk/test_suite/shared_data/structures/pca/gromacs/r28110 - /trunk/test_suite/shared_data/structures/pca/gromacs/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