[AMBER] How to handle Ca2+ ion with 8 coordination Geometry in lectin domain for MD simulation.

From: Bhat Zahoor <dr.zahoor11.gmail.com>
Date: Thu, 28 Oct 2021 13:50:17 +0530

Dear Amber Community,

I want to simulate protein ligand interaction wherein Ca2+ ion is in 8
coordination geometry with protein and ligand.

I am not sure about the forcefield parameters for the Ca2+ ion in this
coordination geometry. Any sort of help shall be appreciated.

Thank you in anticipation
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Received on Thu Oct 28 2021 - 01:30:02 PDT