| version 1.1025 | version 1.1026 |
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| // DebugM(4,"atomUpdate() - positionBox[0] is " << positionBox[0] << "\n"); | // DebugM(4,"atomUpdate() - positionBox[0] is " << positionBox[0] << "\n"); |
| for (int i=0; i<2; i++) { | for (int i=0; i<2; i++) { |
| | |
| numAtoms[i] = patch[i]->getNumAtoms(); | numAtoms[i] = patch[i]->getNumAtoms(); |
| | |
| | // DMK - Atom Separation (water vs. non-water) |
| | #if NAMD_SeparateWaters != 0 |
| | numWaterAtoms[i] = patch[i]->getNumWaterAtoms(); |
| | #endif |
| } | } |
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| // Compute::atomUpdate(); | // Compute::atomUpdate(); |
| } | } |
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