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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
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tools/moltemplate/examples/all_atom_examples/OPLSAA_force_field_examples/ethylene/README.TXT
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This is an example of how to use the OPLSAA force-field in LAMMPS
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(using moltemplate.sh and the oplsaa_moltemplate.py conversion tool).
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As of 2014-3-31, it has not been tested for accuracy.
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(See the WARNING.TXT file.)
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step 1)
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To build the files which LAMMPS needs, follow the instructions in:
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README_setup.sh
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step 2)
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To run LAMMPS with these files, follow these instructions:
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README_run.sh