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Viewing changes to tools/moltemplate/examples/CG_protein_folding_examples/1bead+chaperone/frustrated+minichaperone/moltemplate_files/system.in.init

  • Committer: Package Import Robot
  • Author(s): Anton Gladky
  • Date: 2013-11-20 22:41:36 UTC
  • mfrom: (1.2.2)
  • Revision ID: package-import@ubuntu.com-20131120224136-tzx7leh606fqnckm
Tags: 0~20131119.git7162cf0-1
* [e65b919] Imported Upstream version 0~20131119.git7162cf0
* [f7bddd4] Fix some problems, introduced by upstream recently.
* [3616dfc] Use wrap-and-sort script.
* [7e92030] Ignore quilt dir

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tools/moltemplate/examples/CG_protein_folding_examples/1bead+chaperone/frustrated+minichaperone/moltemplate_files/system.in.init
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    # --- Default options for the "1BeadFrustrated" protein model ---
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    # ---            (These can be overridden later.)             ---
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    units           lj
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    atom_style      full
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    bond_style      hybrid harmonic
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    angle_style     hybrid harmonic
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    dihedral_style  hybrid table spline 360
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    pair_style      hybrid lj/charmm/coul/charmm/inter es4k4l maxmax 3.5 4.0
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    pair_modify     mix arithmetic
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    special_bonds   lj 0.0 0.0 1.0   #(turn on "1-4" interactions)
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    units       lj
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    atom_style  full
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    pair_style  hybrid lj/charmm/coul/charmm/inter es4k4l maxmax 8.0 9.0
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  units           lj
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  atom_style      full
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  bond_style      hybrid harmonic
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  angle_style     hybrid harmonic
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  dihedral_style  hybrid table spline 360
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  pair_style      hybrid lj/charmm/coul/charmm/inter es4k4l maxmax 3.5 4.0 table spline 981
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  pair_modify     mix arithmetic
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  special_bonds   lj 0.0 0.0 1.0   #(turn on "1-4" interactions)