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# ChangeLog for data/molecules
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# Generated by Trac 1.4.4
# Apr 1, 2025, 5:40:47 PM

Wed, 04 Apr 2018 16:59:24 GMT Frederik Heber <frederik.heber@…> [37fe17]
	* data/molecules/methane.pdb (added)
	* tests/integration/Makefile.am (modified)
	* tests/integration/MolecularDynamics/post/ethane.ekin (added)
	* tests/integration/MolecularDynamics/post/ethane_initial_steps.data (added)
	* tests/integration/MolecularDynamics/post/methane.ekin (added)
	* tests/integration/MolecularDynamics/post/methane_initial_steps.data (added)
	* tests/integration/MolecularDynamics/post/water-system.ekin (added)
	* tests/integration/MolecularDynamics/post/water-system_initial_steps.data (added)
	* tests/integration/MolecularDynamics/pre/ethane.pdb (added)
	* tests/integration/MolecularDynamics/pre/methane.pdb (added)
	* tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics-ethane.at (added)
	* tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics-methane.at (added)
	* tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics-water-system.at (added)
	* tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics-water.at (modified)
	* tests/integration/MolecularDynamics/testsuite-integration-moleculardynamics.at (modified)

	TESTS: Added MD tests on methane, ethane, and water-filled system.


Mon, 18 Mar 2013 13:32:16 GMT Frederik Heber <heber@…> [fae816]
	* data/molecules/water.pdb (modified)

	FIX: Water molecule in data/molecules had wrong bond angle.


Thu, 10 Nov 2011 16:05:39 GMT Frederik Heber <heber@…> [936a02]
	* data/bondtables/bondtable.dat (added)
	* data/databases/Hbondangle.db (moved)
	* data/databases/Hbonddistance.db (moved)
	* data/databases/elements.db (moved)
	* data/databases/orbitals.db (moved)
	* data/databases/valence.db (moved)
	* data/molecules/ATPase.pdb (added)
	* data/molecules/AntifreezeProtein.pdb (added)
	* data/molecules/bpti.pdb (added)
	* data/molecules/oxirane.pdb (added)
	* data/molecules/portlandite.pdb (added)
	* data/molecules/propene.pdb (added)
	* data/molecules/testosterone.pdb (added)
	* data/molecules/tmv_periodic_segment.pdb (added)
	* data/molecules/tmv_periodic_tube.pdb (added)
	* data/molecules/water.pdb (added)
	* src/Makefile.am (modified)
	* src/documentation/data.dox (added)
	* src/documentation/mainpage.dox (modified)

	Creating data dir for bondtables, databases, and molecules.

	- Moved ...