How to create a topology for HNO3 in OPLSAA forcefield?

Shivangi · October 10, 2022, 10:33am

Hello Everyone,
I want to create a topology for HNO3 molecule for OPLSAA force field. I am not able to create it by using LigParGen software. Can anyone please suggest me any other way to create it.
Thank you.

Teslim · October 11, 2022, 1:33am

use acpype to generate the itp file and then, modify the charges and LJ parameters

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How to create a topology for HNO3 in OPLSAA forcefield?

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