| # | Line 160 | Line 160 | namespace OpenMD { | |
|---|---|---|
| 160 | } | |
| 161 | } | |
| 162 | if (useRNEMD) { | |
| 163 | – | rnemd_->collectData(); |
| 163 | if (currentSnapshot_->getTime() >= currRNEMD) { | |
| 164 | rnemd_->doRNEMD(); | |
| 165 | currRNEMD += RNEMD_exchangeTime; | |
| 166 | } | |
| 167 | + | rnemd_->collectData(); |
| 168 | } | |
| 169 | ||
| 170 | if (currentSnapshot_->getTime() >= currSample) { | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |