source:
tests/regression/Filling/RegularGrid/pre/water.data
| Last change on this file was 80ca29, checked in by , 14 years ago | |
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| File size: 186 bytes | |
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| 1 | # ATOMDATA Id name resName chainID x=3 type neighbors=4 charge |
| 2 | 1 OW TIP3 0 0 0 0 OW 2 3 0 0 -0.834 |
| 3 | 2 HW TIP3 0 0.759 0 0.504 HW 1 0 0 0 0.417 |
| 4 | 3 HW TIP3 0 0.759 0 -0.504 HW 1 0 0 0 0.417 |
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