add opls-aa test with decane molecules
adfaeadf6376
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Authored by Axel Kohlmeyer <akohlmey@gmail.com> on Oct 24 2015, 06:55.

Description

add opls-aa test with decane molecules

Committed

Axel Kohlmeyer <akohlmey@gmail.com>

Oct 24 2015, 06:55

Pushed

junge

Oct 6 2016, 16:49

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Axel Kohlmeyer <akohlmey@gmail.com> committed rLAMMPSadfaeadf6376: add opls-aa test with decane molecules (authored by Axel Kohlmeyer <akohlmey@gmail.com>).Oct 24 2015, 06:55

				Path
	A			tools/msi2lmp/test/decane-oplsaa.car
	A			tools/msi2lmp/test/decane-oplsaa.mdf
	P			tools/msi2lmp/test/in.decane-oplsaa Copied from tools/msi2lmp/test/in.ethane-oplsaa
	A			tools/msi2lmp/test/reference/decane-oplsaa.data
	A			tools/msi2lmp/test/reference/decane-oplsaa.data2
	M			tools/msi2lmp/test/runtests.sh