Hi, for mehr the Files look in principle ok. In case of the settings File of course IT depends which forces you want to parametrize. To getan the firce between the O and H Atoms, I would try force matching with the mapping file you sebt. Then I would try to cases. One settings file with O-H non-bonded interaction onky! (as it is at the moment). Together with the provided mapping File (O-H bond) this will give you the forces between O and H of different methanol molecules. Then I would write a settings File with the O-H bonden Interaction only and nothing else! (look at the hexane example how to fmatch bonds) This should give you a feeling about the O-H Interactions (and for the other interactions the sane)
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