How to get an ITP file for a Boron Nitride Nanotube workable with CHARMM36 FF?

08 February 2023 0 2K Report

I want to simulate a Boron Nitride nanotube with Char force field in Gromax software package. But the nanotube boron atom is not defined in this force field. How can I get the desired file for this combination?

Is it possible to get the necessary files for simulation on the Charm site?

And another question in this regard, should I enter the parameters in the force field manually?

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