have you taken a look at the tutorials for this? they are a bit older, but
should get you going.
https://ambermd.org/tutorials/ForceField.php
On Fri, Mar 8, 2024 at 4:14 PM Intravaia, Lauren E via AMBER <
amber.ambermd.org> wrote:
> Hello,
>
> I am trying to generate non-standard forcefield parameters for drug-like
> molecules necessary for MD simulation of protein-drug complexes using the
> AMBER ff19sb force field.
>
> After geometry optimization and electrostatic potential calculations in
> gaussian, what is the recommended AMBER program for resp charge fitting?
>
> Thank you,
> Lauren
>
> --
> Lauren Intravaia
> PhD Candidate
> Lab of Dr. Celia Schiffer
> Dept. of Biochemistry and Molecular Biotechnology
> University of Massachusetts Chan Medical School
> 364 Plantation St. LRB 970D
> Email: lauren.intravaia.umassmed.edu<mailto:lauren.intravaia.umassmed.edu>
> Website: https://www.umassmed.edu/schifferlab/
>
>
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Received on Fri Mar 08 2024 - 14:00:02 PST
