[AMBER] Questions about QM

From: Ignjat Filipović <ignjat.filipovic.pmf.kg.ac.rs>
Date: Mon, 25 May 2020 14:23:45 +0000

Dear all,

I am planning to run simulations of metal complexes treated quantum mechanically and I was curious if during dynamics simulation Amber can output strength of electromagnetic field at certain coordinates relative to the molecule of interest or at least some similar information?

Best regards,
Ignjat F.
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Received on Mon May 25 2020 - 07:30:02 PDT