version 1.1090 | version 1.1091 | ||
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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) |
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