| # | Line 607 | Line 607 | void getFortranGroupArray(SimInfo* info, vector<double | |
|---|---|---|
| 607 | if(myMols[i].belongToCutoffGroup(atomIndex)) | |
| 608 | continue; | |
| 609 | else{ | |
| 610 | < | mfact.push_back(myAtoms[j]->getMass()); |
| 610 | > | // this is a fraction of the cutoff group's mass, not the mass itself! |
| 611 | > | mfact.push_back(1.0); |
| 612 | groupList.push_back(myAtoms[j]->getIndex() + 1); | |
| 613 | groupStart.push_back(curIndex++); | |
| 614 | } | |
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| + | Added lines |
| < | Changed lines |
| > | Changed lines |