QM calculation

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Hi everybody,



I am new to NWChem and I want to do QM/MM calculation with it. Indeed I have generated the first structure of my water-peptide system by Amber tools with amber force field and now I want to do QM/MM calculations then convert the files to gromacs format for doing the rest of simulation. Can NWChem do the QM/MM calculations? Does it compatible with amber force field? Can I convert the files to gromacs format after calculations? Do you know a tutorial for doing QM/MM calculations by NWChem?



Thank you, Mohammad.


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