[AMBER] Simulation of ZrO2 (zirconium dioxide)

From: Victor Nazarychev via AMBER <amber.ambermd.org>
Date: Wed, 10 Jan 2024 18:05:42 +0300

 Dear Amber's users,

 Is it possible to simulate the interaction of the biopolymers parametrized
in the GAFF force field with the surface of ZrO2?

 Maybe some parametrization of the VDW of partial charge interactions for
ZrO2 exists for the Amber force field family?


Best regards,

Victor
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Received on Wed Jan 10 2024 - 07:30:03 PST