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Viewing changes to tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/moltemplate_files/oplsaa_lt_generator/minimal_versions/oplsaa_subset_simplified.prm

  • Committer: Package Import Robot
  • Author(s): Anton Gladky
  • Date: 2015-04-29 23:44:49 UTC
  • mfrom: (5.1.3 experimental)
  • Revision ID: package-import@ubuntu.com-20150429234449-mbhy9utku6hp6oq8
Tags: 0~20150313.gitfa668e1-1
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      #############################
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      ##  Atom Type Definitions  ##
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      #############################
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atom         88   47    CM    "Alkene H2-C="                 6    12.011    3
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atom         89   46    HC    "Alkene H-C="                  1     1.008    1
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vdw          88               3.5500     0.0760
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vdw          89               2.4200     0.0300
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bond         46   47          340.00     1.0800
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bond         47   47          549.00     1.3400
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angle        46   47   46      35.00     117.00
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angle        46   47   47      35.00     120.00
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torsion      46   47   47   46      0.000 0.0 1  14.000 180.0 2   0.000 0.0 3
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imptors       0    0   47    0           30.000  180.0  2
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charge       88              -0.2300
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charge       89               0.1150
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