| version 1.1024 | version 1.1025 |
|---|
| |
| // How can we tell if BoxOwner has packed up and left? Need a mechanism | // How can we tell if BoxOwner has packed up and left? Need a mechanism |
| // to handle this or do we assume the Boxes have been dumped? | // to handle this or do we assume the Boxes have been dumped? |
| numAtoms = patch->getNumAtoms(); | numAtoms = patch->getNumAtoms(); |
| | |
| | // DMK - Atom Separation (water vs. non-water) |
| | #if NAMD_SeparateWaters != 0 |
| | numWaterAtoms = patch->getNumWaterAtoms(); |
| | #endif |
| } | } |
| | |
| void ComputePatch::doWork() { | void ComputePatch::doWork() { |