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lammps/tools/moltemplate/examples/CG_solvent/cyclododecane+watMW/moltemplate_files
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sjplimp def6733a9a git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9823 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-07 23:41:55 +00:00
..
version_more_comments git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9823 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-07 23:41:55 +00:00
README.sh git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9823 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-07 23:41:55 +00:00
cyclododecane.lt git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9823 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-07 23:41:55 +00:00
system.lt git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9823 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-07 23:41:55 +00:00
trappe1998.lt git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9823 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-07 23:41:55 +00:00
watmw.lt git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9823 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2013-05-07 23:41:55 +00:00

README.sh 

# Use this command to generate the LAMMPS input files:

moltemplate.sh -a "@atom:/WatMW/mW 1" system.lt

# The -a argument insures that the "mW" atom type is assigned to "1".
# (This is necessary for the pair_coeff command to work.
#  See system.lt for details.)

# Note: To get rid of the annoying "atom_style unspecified warnings, 
# use the "-atomstyle" command line argument, as in:
# moltemplate.sh -atomstyle full  -a "@atom:/WatMW/mW 1" system.lt