Hello I used Gaussian to optimize my ligand's structure for biological work. Is it possible to add Charmm General Force Field to Gaussian?

29 July 2023 1 8K Report

Thank you for your attention

Zahra Rajabi

Assalam o alikum wa rahmatullahi wa barkatuhu

In Gaussian, the energy minimization in the mechanics method by applying UFF, Dreiding, and Amber force field. If you want to minimize the structure so you have to go through Biovia Discovery studio and apply CHarmm force field easily.

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