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Molecular dynamics by NMR data analysis

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Commit [r28111] Maximize Restore History

Updated the Gromacs PCA results for the newest Gromacs version (5.1.1).

Authored by: bugman 2015-11-25

Browse code at this revision

Parent: [r28110]

Child: [r28112]

changed	/trunk/test_suite/shared_data/structures/pca/gromacs/average.pdb
changed	/trunk/test_suite/shared_data/structures/pca/gromacs/covar.log
changed	/trunk/test_suite/shared_data/structures/pca/gromacs/covar.m2p
changed	/trunk/test_suite/shared_data/structures/pca/gromacs/covar.xpm
changed	/trunk/test_suite/shared_data/structures/pca/gromacs/eigenval.xvg
changed	/trunk/test_suite/shared_data/structures/pca/gromacs/eigenvec.trr
changed	/trunk/test_suite/shared_data/structures/pca/gromacs/exec.sh
changed	/trunk/test_suite/shared_data/structures/pca/gromacs/fws-ev1.pdb
changed	/trunk/test_suite/shared_data/structures/pca/gromacs/proj-1-2.xvg
changed	/trunk/test_suite/shared_data/structures/pca/gromacs/proj-2-3.xvg
changed	/trunk/test_suite/shared_data/structures/pca/gromacs/proj-3-4.xvg

/trunk/test_suite/shared_data/structures/pca/gromacs/average.pdb Diff Switch to side-by-side view

/trunk/test_suite/shared_data/structures/pca/gromacs/covar.log Diff Switch to side-by-side view

/trunk/test_suite/shared_data/structures/pca/gromacs/covar.m2p Diff Switch to side-by-side view

/trunk/test_suite/shared_data/structures/pca/gromacs/covar.xpm

Binary file was changed.

/trunk/test_suite/shared_data/structures/pca/gromacs/eigenval.xvg Diff Switch to side-by-side view

/trunk/test_suite/shared_data/structures/pca/gromacs/eigenvec.trr

Binary file was changed.

/trunk/test_suite/shared_data/structures/pca/gromacs/exec.sh Diff Switch to side-by-side view

/trunk/test_suite/shared_data/structures/pca/gromacs/fws-ev1.pdb Diff Switch to side-by-side view

/trunk/test_suite/shared_data/structures/pca/gromacs/proj-1-2.xvg Diff Switch to side-by-side view

/trunk/test_suite/shared_data/structures/pca/gromacs/proj-2-3.xvg Diff Switch to side-by-side view

/trunk/test_suite/shared_data/structures/pca/gromacs/proj-3-4.xvg Diff Switch to side-by-side view