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The top documents tagged [waals parameters]
Amber: How to Prepare Parameters for Non-standard Residues
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A coupled (hybrid) potential QM/MM/MD simulations in Amber Dr. Vladislav Vasilyev Supercomputer Facility The Australian National University
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Thermodynamic 1
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Forces Note on units: Energy kcal/mol(1kcal = 4.184 kJ). DistanceÅ(1Å = 10 -10 M) At room temperature thermal energy = RT=.59 kcal/mol I. Covalent bonds
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