[gmx-users] How possible applying two different force field parameters for two-component in Gromacs simulation

[Dallas Warren]

The first question you have to ask is are those two compatible, have the
same equations/relationships, and derived/parameterised in exactly the same
manner? If the answer is no, then go no further, you cannot mix two
incompatible forcefields in that manner.

On Thu, 6 Feb. 2020, 6:33 pm mohammad torabi, <smohammadtorabi at yahoo.com>
wrote:

> Dear users of Gromacs,
> I am starting with Gromacs for a short time. I want to prepare a
> simulation system including 2 components (Protein + ionic liquid) but their
> available force fields have different sources (OPLS-AA existing in Gromacs
> data bank and a specific FF based on Lopes & Padua IL force field outside
> the Gromacs data bank). How can I properly use (mix) these 2 different
> force fields for my system components in the topology file of Gromacs code.
> Best Regards,S. M. Torabi
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