[AMBER] about grid & radial distribution function

From: M. Reza Ganjalikhany <ganjalikhany.gmail.com>
Date: Sun, 25 Jul 2010 06:59:36 -0400

Hello all,

#1: I have problem in adjusting the amount of *spacing* in *grid* and
also *radial
distribution function* in ptraj.
Are they arbitrary values or should be calculated according a reference?

#2: Is it necessary to center and image (solute and solvent) prior to the *
radial* call?

Any help would be appreciated.

M. Reza
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Received on Sun Jul 25 2010 - 04:30:03 PDT
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