[gmx-users] Generating parameters of Alpha-Ketoglutarate for AMBER FF

Pandya, Akash akash.pandya.15 at ucl.ac.uk
Tue Feb 26 14:33:00 CET 2019

Hi all,

I am simulating my protein with Alpha-Ketoglutarate and I have been searching literature on ways to parameterise the molecule for the AMBER FF. I'm not having any luck and was wondering if anyone has or knows how to parameterise Alpha-Ketoglutarate? The chemical formula is C5H4O5-2.

Any guidance will be much appreciated.


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