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Molecular dynamics by NMR data analysis

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Commit [r10737] Maximize Restore History

Shifted the Gromacs phthalic acid structure.

Authored by: bugman 2010-02-18

Browse code at this revision

Parent: [r10736]

Child: [r10738]

renamed	/1.3/test_suite/shared_data/structures/gromacs_phthalic_acid.pdb -> /1.3/test_suite/shared_data/structures/phthalic_acid/gromacs.pdb
changed	/1.3/test_suite/system_tests/load_spins.py
changed	/1.3/test_suite/system_tests/scripts/load_spins_from_small_molecule.py
changed	/1.3/test_suite/system_tests/scripts/phthalic_acid_noes.py
changed	/1.3/test_suite/system_tests/structure.py

/1.3/test_suite/shared_data/structures/gromacs_phthalic_acid.pdb to /1.3/test_suite/shared_data/structures/phthalic_acid/gromacs.pdb

File was renamed.

/1.3/test_suite/system_tests/load_spins.py Diff Switch to side-by-side view

/1.3/test_suite/system_tests/scripts/load_spins_from_small_molecule.py Diff Switch to side-by-side view

/1.3/test_suite/system_tests/scripts/phthalic_acid_noes.py Diff Switch to side-by-side view

/1.3/test_suite/system_tests/structure.py Diff Switch to side-by-side view