source: tests/integration/MolecularDynamics/pre@ bd19c1

Candidate_v1.6.1 ChemicalSpaceEvaluator Exclude_Hydrogens_annealWithBondGraph ForceAnnealing_with_BondGraph_contraction-expansion
Name Size Rev Age Author Last Change
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ethane.pdb 1.3 KB ​ 37fe17   7 years frederik.heber TESTS: Added MD tests on methane, ethane, and water-filled system.
methane.pdb 886 bytes ​ 37fe17   7 years frederik.heber TESTS: Added MD tests on methane, ethane, and water-filled system.
water.pdb 561 bytes ​ 0aae02   7 years frederik.heber Added integration test molecular dynamics of a water molecule. - we …
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