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gezelter |
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! This is the forcefield file for the Lennard-Jones Force Field (LJFF). |
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! There is only a section for AtomTypes in this FF |
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! |
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! Data is from Table 1.1 in Allen & Tildesley's book |
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#AtomTypes |
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!Atom mass LJ epsilon (kcal/mol) LJ sigma (Angstroms) |
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H 1.00794 0.017090056482 2.81 |
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He 4.002602 0.020269601874 2.28 |
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C 12.0107 0.101745452544 3.35 |
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N 14.00674 0.074123151951 3.31 |
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O 15.9994 0.122412497592 2.95 |
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F 18.9984032 0.104924997936 2.83 |
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Ne 20.1797 0.09339914589 2.72 |
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S 32.066 0.36366050421 3.52 |
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Cl 35.4527 0.344781953445 3.35 |
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Ar 39.948 0.238068461226 3.41 |
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Br 79.904 0.511111921764 3.54 |
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Kr 83.80 0.32590340268 3.83 |
