[AMBER] cpptraj density command

From: Ignacio J. General <ijgeneral.gmail.com>
Date: Sat, 21 Nov 2015 10:10:17 -0300

Dear all, I am calculating charge density with cpptraj, using:

density out density.dat charge 0.1 ":1-451"

Can somebody tell me what are the units of the output?
If Lx, Ly and Lz are the lengths of the simulation box , and deltaz is the
delta used in the command, along the z axis, is the density calculated by
cpptraj the charge over volume of the grid box (size Lx Ly deltaz), in
units of Coulomb / A^3? Or is in units of electron charge / A^3?


PD: I sent this message yesterday, but didn't appear in the mail archive,
so I am sending it again. Sorry if, after all, it gets there 2 times...

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Received on Sat Nov 21 2015 - 05:30:03 PST
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