#elif defined GMX_QMMM_GAUSSIAN
QMener = call_gaussian(cr, fr, qm, mm, f, fshift);
#elif defined GMX_QMMM_ORCA
- QMener = call_orca(cr, fr, qm, mm, f, fshift);
+ QMener = call_orca(fr, qm, mm, f, fshift);
#else
gmx_fatal(FARGS, "Ab-initio calculation only supported with Gamess, Gaussian or ORCA.");
#endif
#elif defined GMX_QMMM_GAUSSIAN
init_gaussian(cr, qr->qm[0], qr->mm);
#elif defined GMX_QMMM_ORCA
- init_orca(cr, qr->qm[0], qr->mm);
+ init_orca(qr->qm[0]);
#else
gmx_fatal(FARGS, "Ab-initio calculation only supported with Gamess, Gaussian or ORCA.");
#endif