added tweak to write out the command line used for the conversion to the beginning of the LAMMPS input

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Axel Kohlmeyer

2016-10-05 18:13:46 -04:00

parent c07a01c661

commit f32819dd10

1 changed files with 655 additions and 648 deletions

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tools/ch2lmp/charmm2lammps.pl

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