[AMBER] Problems calculating density over distance

From: Lucas Bandeira <bandeiralucas97.gmail.com>
Date: Mon, 25 Mar 2019 14:41:48 -0300

Dear AMBER Community,

I'm trying to compute density over z direction using the command "density".
The system is a slab of gold with 12 layers under a water box. The result I
got after computing density is a graph with 12 peaks, value which is equal
the amount of layer that I have in the gold slab. But I can't understand
the result I got. Why am I getting only the peaks related to the gold atoms
and not the ones related to the water molecules. I can't understand the
intensity of each peak neither. Could somebody help me?

I'm sending attached the graphs I got and my input file to compute
diffusion.

Yours sincerely,

Lucas Bandeira


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Received on Mon Mar 25 2019 - 11:00:02 PDT
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