Force field parameters

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1

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GROMACS modification: Yes/No
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Hello dear Gromacs users,
I hope this mail finds you well.
I think force-field parameters of some atoms or molecules are not available. If I want to simulate such atoms or molecules, is there any possible ways to paramerize by ourselve? For example, could I get force field parameter for 1,2,3 Benzotriazole corrosion inhibitor or not yet available?

2

There are different servers for parametrizing novel molecules depending on the forcefield you’re using. Please refer to this tutorial for methods on how to do this