test.gro 473 B

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  1. MD of 2 waters, t= 4.2
  2. 6
  3. 1WATER OW1 1 0.126 1.624 1.679 0.1227 -0.0580 0.0434
  4. 1WATER HW2 2 0.190 1.661 1.747 0.8085 0.3191 -0.7791
  5. 1WATER HW3 3 0.177 1.568 1.613 -0.9045 -2.6469 1.3180
  6. 2WATER OW1 4 1.275 0.053 0.622 0.2519 0.3140 -0.1734
  7. 2WATER HW2 5 1.337 0.002 0.680 -1.0641 -1.1349 0.0257
  8. 2WATER HW3 6 1.326 0.120 0.568 1.9427 -0.8216 -0.0244
  9. 1.82060 1.82060 1.82060