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Add fragment definition

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Tjerk Straatsma 2004-12-07 22:03:15 +00:00
parent 9d2a04e434
commit 9da68e5599
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examples/md/benzene/bnz.frg Normal file
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# This is an automatically generated fragment file
# Atom types and connectivity were derived from coordinates
# Atomic partial charges are crude estimates
# 12/07/04 13:57:02
#
$bnz
12 1 1 0
bnz
1 C1 CA 0 0 0 1 1 -0.050000 0.000000
2 H1 HA 0 0 0 1 1 0.050000 0.000000
3 C2 CA 0 1 0 1 1 -0.050000 0.000000
4 H2 HA 0 0 0 1 1 0.050000 0.000000
5 C3 CA 0 1 0 1 1 -0.050000 0.000000
6 H3 HA 0 0 0 1 1 0.050000 0.000000
7 C4 CA 0 1 0 1 1 -0.050000 0.000000
8 H4 HA 0 0 0 1 1 0.050000 0.000000
9 C5 CA 0 1 0 1 1 -0.050000 0.000000
10 H5 HA 0 0 0 1 1 0.050000 0.000000
11 C6 CA 0 1 0 1 1 -0.050000 0.000000
12 H6 HA 0 0 0 1 1 0.050000 0.000000
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