Merge pull request #191 from akohlmey/updated-charmm2lammps
Updated charmm2lammps
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- tools/ch2lmp/README 15 additions, 15 deletionstools/ch2lmp/README
- tools/ch2lmp/charmm2lammps.pl 220 additions, 641 deletionstools/ch2lmp/charmm2lammps.pl
- tools/ch2lmp/example/1ac7.data 3753 additions, 3753 deletionstools/ch2lmp/example/1ac7.data
- tools/ch2lmp/example/1ac7.in 9 additions, 7 deletionstools/ch2lmp/example/1ac7.in
- tools/ch2lmp/example/1ac7.pdb 0 additions, 0 deletionstools/ch2lmp/example/1ac7.pdb
- tools/ch2lmp/example/1ac7.pdb1 0 additions, 0 deletionstools/ch2lmp/example/1ac7.pdb1
- tools/ch2lmp/example/1ac7.pgn 0 additions, 0 deletionstools/ch2lmp/example/1ac7.pgn
- tools/ch2lmp/example/1ac7.psf 0 additions, 0 deletionstools/ch2lmp/example/1ac7.psf
- tools/ch2lmp/example/1ac7_ctrl.pdb 1882 additions, 1882 deletionstools/ch2lmp/example/1ac7_ctrl.pdb
- tools/ch2lmp/example/1ac7_ctrl.psf 1616 additions, 1616 deletionstools/ch2lmp/example/1ac7_ctrl.psf
- tools/ch2lmp/example/1ac7_pared.pdb 0 additions, 0 deletionstools/ch2lmp/example/1ac7_pared.pdb
- tools/ch2lmp/example/par_all27_na.prm 0 additions, 0 deletionstools/ch2lmp/example/par_all27_na.prm
- tools/ch2lmp/example/top_all27_na.rtf 0 additions, 0 deletionstools/ch2lmp/example/top_all27_na.rtf
- tools/ch2lmp/lammps2pdb.pl 97 additions, 97 deletionstools/ch2lmp/lammps2pdb.pl
- tools/ch2lmp/other/in_mkpdb 0 additions, 0 deletionstools/ch2lmp/other/in_mkpdb
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