support marker IMPROPERS in addition to IMPROPER
dc4012974610
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Jan 15 2016, 01:20.

Description

support marker IMPROPERS in addition to IMPROPER

CGenFF/Charmm-GUI generated parameter files and other recent CHARMM parameter files seem to be using the marker IMPROPERS instead of IMPROPER. with this change, both are recognized and translated to the same number (4).

Details

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Jan 15 2016, 01:20

Pushed

junge

Oct 6 2016, 16:49

Parents

rLAMMPS7770aa620051: correct logic for assigning molecule ids

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Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPSdc4012974610: support marker IMPROPERS in addition to IMPROPER (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Jan 15 2016, 01:20

Changes (1)

				Path
	M			tools/ch2lmp/charmm2lammps.pl

rLAMMPSdc4012974610

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tools/ch2lmp/charmm2lammps.pl