GROMACS version:2021
GROMACS modification: No
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Hi Gromacs users,
I am modelling an interfacial inteactions between a mineral and SPC/E water phase. The force field employed showed that the mineral has an internal force field while the SPC/E force field was applied to the water phase. At the interface, the mineral atoms react with the SPCE water molecular with a calibrated force parameters. My questions are that how to model the force at the interface.
Kind Regards,
Michel