[AMBER] best approaches to parameterize a small molecule

From: Prithviraj Nandigrami via AMBER <amber.ambermd.org>
Date: Thu, 19 Mar 2026 08:42:33 -0400

Dear AMBER Users and Experts,

I am trying to generate .prm and .frcmod files for a non-standard small
molecule. Could someone please guide me what is the best approach/tool that
I can try?

I want to subsequently use these files to simulate the small molecule bound
to a protein.

Thank you.
-PN
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Received on Thu Mar 19 2026 - 06:00:04 PDT