[AMBER] Membrane protein-ligand simulation - application of multiple FF - compatibility and reliability

From: Prasanth G, Research Scholar <prasanthghanta.sssihl.edu.in>
Date: Tue, 16 Feb 2021 23:19:09 +0530

Dear all,
I am interested in carrying out Membrane protein - ligand complex
simulations using CHARMM FF, AMBER and GAFF for lipids, protein and ligand
respectively. I would like to know if using multiple force fields has any
effect on reliability of the simulations.
As a followup question, I would also like to know your opinion on whether
this kind of setup could work in GROMACS or not.
Thank you, 
-- 
Regards,
Prasanth.
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Received on Tue Feb 16 2021 - 10:00:02 PST
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