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How can I assign atom classes from amoeba18bio to speficied atoms during parameterization?

Open Blossomstripe opened this issue 1 year ago • 0 comments

I'm preparing the force field for a covalently modified serine residue using poltype2. My aim is to use parameters from amoeba18bio to describe the serine backbone to ensure compatability, and keep these parameters fixed during parameterization. However, I cannot find the way to control this in README. Is there anything I can do?

Blossomstripe avatar Mar 22 '24 07:03 Blossomstripe