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lammps/tools/ch2lmp/example-cmap/convert.sh
2018-01-28 06:22:03 -05:00

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#!/bin/sh
rm -f *.dump *.restart? *.restart
../charmm2lammps.pl -border=2.0 -cmap=36 -ions -water all36_prot 1gb1
cp ../../../potentials/charmm36.cmap .