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  • 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
Upload into unstable.

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bench/FERMI/in.rhodo
 
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# Rhodopsin model
 
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units           real  
 
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neigh_modify    delay 5 every 1   
 
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atom_style      full  
 
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atom_modify     map hash
 
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bond_style      harmonic 
 
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angle_style     charmm 
 
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dihedral_style  charmm 
 
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improper_style  harmonic 
 
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pair_style      lj/charmm/coul/long 8.0 10.0 
 
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pair_modify     mix arithmetic 
 
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kspace_style    pppm 1e-4 
 
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read_data       data.rhodo
 
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replicate       $x $y $z
 
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fix             1 all shake 0.0001 5 0 m 1.0 a 232
 
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fix             2 all npt temp 300.0 300.0 100.0 &
 
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                z 0.0 0.0 1000.0 mtk no pchain 0 tchain 1
 
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special_bonds   charmm
 
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thermo          50
 
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thermo_style    multi 
 
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timestep        2.0
 
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run             $t