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recreate 1gb1 input deck with CMAP included.

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Axel Kohlmeyer
2018-01-28 06:22:03 -05:00
parent cf8dae5ef3
commit 031812b2bf
6 changed files with 7035 additions and 6971 deletions
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tools/ch2lmp/example-cmap/convert.sh Executable file
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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 .