GROMACS version: 2018.3
GROMACS modification: No
Does GROMACS enable simulations using polarizable FFs? If so, then how to use it?
Any help will be appreciated. Thanks in advance.
Dhrubajyoti
Hi Dhrubajyoti,
Currently, GROMACS does not support force-fields like amoeba, however it can emulate polarisability with Drude oscilators - find some documentation here:
https://manual.gromacs.org/documentation/current/reference-manual/functions/polarization.html