| version 1.1090 | version 1.1091 | ||
|---|---|---|---|
|
| ||
| NAMD_die("QM forces are not supported in memory-optimized builds."); | NAMD_die("QM forces are not supported in memory-optimized builds."); | ||
| #endif | #endif | ||
| #ifdef NAMD_CUDA | |||
| NAMD_die("QM forces are not compatible with CUDA at this time"); | |||
| #endif | |||
| molecule->set_qm_replaceAll(simParameters->qmReplaceAll); | molecule->set_qm_replaceAll(simParameters->qmReplaceAll); | ||
| if (simParameters->qmParamPDBDefined) | if (simParameters->qmParamPDBDefined) |
Legend:
| ||||||