[AMBER] S-adenosyl-L-methionine (SAM) ff parameters

From: Venkatareddy Dadireddy <venkatareddy.iisc.ac.in>
Date: Sat, 13 Nov 2021 04:53:39 +0000

Dear Amber Users,

I need S-adenosyl-L-methionine parameters.
I found one from a paper: "A consistent S-Adenosylmethionine force field improved by dynamic Hirshfeld-I atomic charges for biomolecular simulation". The authors have provided parameters
in the form of *.itp (include topology) file to use with Gromacs. But I want to use with Amber package.
How to extract the parameters to use with Amber. I want to prepare library (*.off) and frcmod files from
*.itp (please find with attachment).
Please guide me.

Thank you,

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Received on Fri Nov 12 2021 - 21:00:02 PST
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