<html><head></head><body><div style="font-family: Verdana;font-size: 12.0px;"><div>Hi,</div>
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<div>a short question regarding the mdp option "QMmethod" when using ORCA for QM/MM simulations. If I understand the source code (gromacs/mdlib/qm_orca.cpp) of the ORCA interface correctly, it looks like GROMACS is not telling ORCA what QMmethod to use. </div>
<div>Does the QMmethod mdp-option change anything when using ORCA or do I have to define it seprarately in my .ORCAINFO file?</div>
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<div>Thank you very much and best regards,</div>
<div>Roman</div></div></body></html>