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Test Cases
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DL_POLY_2 Examples
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Scope of Chapter
Contents
Index
DL_POLY Examples
Subsections
Test Cases
Test Case 1: KNaSi
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Test Case 2: Metal simulation with Sutton Chen potentials
Test Case 3: An antibiotic in water
Test Case 4: Shell model of water
Test Case 5: Shell model of MgCl
at constant pressure
Test Case 6: PMF calculation
Test Case 7: Linked rigid bodies
Test Case 8: An osmosis experiment with a semi permeable membrane
Test Case 9: A surfactant at the air-water interface
Test Case 10: DNA strand in water
Test Case 11: Hautman-Klein test case
Benchmark Cases
Benchmark 1
Benchmark 2
Benchmark 3
Benchmark 4
Benchmark 5
Benchmark 6
Benchmark 7
Benchmark 8
Benchmark 9
W Smith 2003-05-12
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