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Viewing changes to tools/moltemplate/examples/file_conversion_examples/convert_LAMMPS_to_LT_examples/cnad-cnt/README_step3_run_lammps.sh

  • 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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tools/moltemplate/examples/file_conversion_examples/convert_LAMMPS_to_LT_examples/cnad-cnt/README_step3_run_lammps.sh
 
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# --- Running LAMMPS ---
 
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#  -- Prerequisites: --
 
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# The "run.in.nvt" LAMMPS input script links to the input 
 
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# scripts and data files you hopefully have created earlier 
 
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# with moltemplate.sh:
 
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#   system.in.init, system.in.settings, system.data
 
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# If not, carry out the instructions in "README_run_moltemplate.sh".
 
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#
 
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#  -- Instructions: --
 
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# If "lmp_linux" is the name of the command you use to invoke lammps,
 
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# then you would run lammps this way:
 
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lmp_linux -i run.in.nvt
 
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# NOTE: BECAUSE ALL OF THE ORIGINAL FORCE FIELD PARAMETERS WERE INTENTIONALLY
 
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#       REMOVED, THE SYSTEM WILL MOVE IN A VERY UNREALISTIC WAY.