[ase-users] QMMM and gromacs.py io module

[Eric Smoll]

Hello ASE users,

I am interested in using your software to run a MOPAC2012 / GROMACS QMMM
simulation. I would prefer to provide my own topology file and my own .gro
file. It is not yet clear if the code will support this type of submission
so there may be some additional programming required. Does anyone have any
input on how I should proceed?

Also, does ase_qmmm_manyqm.py support the use of itp files in the topology?

Best,
Eric
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