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Viewing changes to tools/moltemplate/examples/CG_biomolecules/protein_folding_examples/1bead+chaperone/unfrustrated+chaperonin/moltemplate_files/1beadUnfrustrated_variants.lt

  • 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_biomolecules/protein_folding_examples/1bead+chaperone/unfrustrated+chaperonin/moltemplate_files/1beadUnfrustrated_variants.lt
 
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import "1beadUnfrustrated.lt"
 
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# Alternate starting conformation (same molecule):
 
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1beadUnfolded inherits 1beadUnfrustrated {
 
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  # This molecule "inherits" all of its features from "1beadUnfrustrated"
 
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  # Here we override the atomic positions with new coordinates:
 
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  #  AtomID MoleculeID AtomType Charge   X        Y         Z
 
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  write("Data Atoms") {
 
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    $atom:a1   $mol   @atom:L    0.0    -2.4      1.7      -0.0
 
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    $atom:a2   $mol   @atom:B    0.0    -1.8      1.7       0.8
 
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    $atom:a3   $mol   @atom:L    0.0    -1.2      2.5       0.8
 
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    $atom:a4   $mol   @atom:B    0.0    -0.6      2.5      -0.0
 
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    $atom:a5   $mol   @atom:L    0.0     0.0      1.7      -0.0
 
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    $atom:a6   $mol   @atom:B    0.0     0.6      1.7       0.8
 
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    $atom:a7   $mol   @atom:N    0.0     1.2      2.5       0.8
 
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    $atom:a8   $mol   @atom:N    0.0     1.8      2.5      -0.0
 
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    $atom:a9   $mol   @atom:B    0.0     2.4      1.7      -0.0
 
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    $atom:a10  $mol   @atom:L    0.0     3.0      1.7      -0.8
 
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    $atom:a11  $mol   @atom:B    0.0     3.0      0.7      -0.8
 
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    $atom:a12  $mol   @atom:L    0.0     3.0      0.1      -0.0
 
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    $atom:a13  $mol   @atom:B    0.0     3.8     -0.5      -0.0
 
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    $atom:a14  $mol   @atom:L    0.0     3.8     -1.1      -0.8
 
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    $atom:a15  $mol   @atom:N    0.0     3.0     -1.7      -0.8
 
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    $atom:a16  $mol   @atom:N    0.0     3.0     -1.7       0.2
 
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    $atom:a17  $mol   @atom:N    0.0     2.4     -2.5       0.2
 
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    $atom:a18  $mol   @atom:B    0.0     1.8     -2.5      -0.6
 
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    $atom:a19  $mol   @atom:B    0.0     1.2     -1.7      -0.6
 
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    $atom:a20  $mol   @atom:L    0.0     0.6     -1.7       0.2
 
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    $atom:a21  $mol   @atom:L    0.0    -0.0     -2.5       0.2
 
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    $atom:a22  $mol   @atom:B    0.0    -0.6     -2.5      -0.6
 
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    $atom:a23  $mol   @atom:B    0.0    -1.2     -1.7      -0.6
 
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    $atom:a24  $mol   @atom:L    0.0    -1.8     -1.7       0.2
 
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    $atom:a25  $mol   @atom:L    0.0    -2.4     -2.5       0.2
 
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    $atom:a26  $mol   @atom:B    0.0    -3.0     -2.5      -0.6
 
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    $atom:a27  $mol   @atom:L    0.0    -3.6     -1.7      -0.6
 
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  }
 
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} # 1beadUnfolded
 
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