Can anyone help me in getting CHARMM36 united atom force-field parameters for BNNT?

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Justin Lemkul

CHARMM36 is an all-atom force field, so no molecule should be represented as united-atom. GROMOS is the only united-atom force field still commonly in use.

Anjali Manubhai Patel

Justin Lemkul thank you for the reply. But here i have gone through whole .atp file but not getting boron atom. here how can i generate B-N tube topology file. Can you please share some link or information to generate

Biomolecular force fields generally do not support boron. You may be able to use GAFF or GROMOS, but I'm not sure.