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Viewing changes to tools/moltemplate/examples/file_conversion_examples/convert_LAMMPS_to_LT_examples/cnad-cnt/README_step2_run_moltemplate.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
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tools/moltemplate/examples/file_conversion_examples/convert_LAMMPS_to_LT_examples/cnad-cnt/README_step2_run_moltemplate.sh
 
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# --- Running Moltemplate ---
 
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#  -- Prerequisites: --
 
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# The "system.lt" moltemplate file links to other ".lt" files
 
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# files you hopefully have created earlier when you ran "ltemplify.py:
 
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#    cnad.lt and cnt.lt
 
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# If not, carry out the instructions in "README_run_ltemplify.sh".
 
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moltemplate.sh system.lt
 
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# This will generate various files with names ending in *.in* and *.data. 
 
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# These files are the input files directly read by LAMMPS.
 
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# Optional:
 
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# The "./output_ttree/" directory is full of temporary files generated by 
 
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# moltemplate.  They can be useful for debugging, but are usually thrown away.
 
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rm -rf output_ttree/
 
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