Dear Gerrit,
I am using Gromacs/Gaussian for qmmm-calculations. From the manual I
could only find the instructions for how to use qmmm the "normal way",
i.e. fill in the mdp file, but I learned from other Gromacs users that
adding additional keywords was possible. How? Where do I put them?
Is there any documentation available on what the standard settings
are? i.e. every default qm step is a single-point calculation, right?
Is a zero point calculation included yet? If not, how can I change
from SP to frequency calculation?
Best wishes and thanks in advance, Ilona
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