| # | Line 368 | Line 368 | namespace OpenMD { | |
|---|---|---|
| 368 | for(atom = mol->beginAtom(ai); atom != NULL; | |
| 369 | atom = mol->nextAtom(ai)) { | |
| 370 | atom->zeroForcesAndTorques(); | |
| 371 | + | cerr << "apos = " << atom->getPos() << "\n"; |
| 372 | } | |
| 373 | ||
| 374 | //change the positions of atoms which belong to the rigidbodies | |
| # | Line 381 | Line 382 | namespace OpenMD { | |
| 382 | cg = mol->nextCutoffGroup(ci)) { | |
| 383 | //calculate the center of mass of cutoff group | |
| 384 | cg->updateCOM(); | |
| 385 | + | cerr << "cgpos = " << cg->getPos() << "\n"; |
| 386 | } | |
| 387 | } | |
| 388 | } | |
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