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Viewing changes to tools/moltemplate/examples/coarse_grained_examples/protein_folding_examples/1bead+chaperone/frustrated/README_run.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/coarse_grained_examples/protein_folding_examples/1bead+chaperone/frustrated/README_run.sh
 
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# You would probably run lammps this way:
 
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#
 
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# lmp_ubuntu -i run.in.nvt
 
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# The files "run.in.min", and "run.in.nvt" are LAMMPS input scripts which refer
 
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# to the input scripts & data files you created earlier when you ran moltemplate
 
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# system.in.init, system.in.settings, system.data
 
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# -----------------------------------
 
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LAMMPS_COMMAND="lmp_ubuntu"
 
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# Here "$LAMMPS_BINARY" is the name of the command you use to invoke lammps
 
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# (such as lmp_linux, lmp_g++, lmp_mac, lmp_cygwin, etc...) Change if necessary.
 
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# Run lammps using the following 3 commands:
 
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"$LAMMPS_COMMAND" -i run.in.min              # minimize         (OPTIONAL)
 
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"$LAMMPS_COMMAND" -i run_short_sim.in.nvt    # production run
 
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