source:
tests/regression/Parser/Tremolo/post/water-neighbors.data
| Last change on this file was ca331c, checked in by , 13 years ago | |
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| File size: 245 bytes | |
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| 1 | # ATOMDATA Id name resName resSeq x=3 charge type neighbors=2 |
| 2 | 1 OH2 TIP3 1 1.583 1.785 1.480 -0.8340 O 2 3 |
| 3 | 2 H1 TIP3 1 1.186 1.643 2.213 0.4170 H 1 0 |
| 4 | 3 H2 TIP3 1 2.642 1.896 1.730 0.4170 H 1 0 |
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