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patch 11Apr17

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This commit is contained in:
Steve Plimpton
2017-04-11 09:00:37 -06:00
parent 49dd9449b8
commit 4da8c1c4e2
12 changed files with 57 additions and 456 deletions
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5
examples/cmap/in.cmap
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@ -9,11 +9,10 @@ boundary p p p
atom_style full
bond_style harmonic
angle_style charmm
dihedral_style charmm
dihedral_style charmmfsw
improper_style harmonic
pair_style lj/charmm/coul/charmm 8 12
#pair_style lj/charmmfsw/coul/charmmfsh 8 12
pair_style lj/charmmfsw/coul/charmmfsh 8 12
pair_modify mix arithmetic
fix cmap all cmap charmm22.cmap