Dear everyone,
I want to simulate ionic liquid systems via gromacs program with Polarizable force field, but I cant obtain the force field parameters. I want to know, which Polarizable force field can be used in gmx and how to got the parameters
Hi,
I think your best shot is Alexandria, but I also think it will be difficult to make it to work. You can check more information here:
https://uu.diva-portal.org/smash/get/diva2:1300961/FULLTEXT01.pdf
https://zenodo.org/record/1004711/files/AlexandriaLib.tar.gz
I think gmx supports Drude polarizable forcefield (not natively I think);
Article Implementation of Extended Lagrangian Dynamics in GROMACS fo...
But you can find FF itself or contact the authors of this paper.
Best,
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