From: Prof. Eddie (
Date: Mon Sep 28 2015 - 18:57:37 CDT

Hi all,
I used fftk to parameterize a ligand and now I want to make a box with a
bunch of them. I realize I need to take the pdb and add displaced copies
(change x/y/z and atom number accordingly), but what about the psf? Is
there a "simple" way to take my fftk psf and make multiple copies (or at
least tell the autopsf script how to find the parameters for one copy). If
there isn't I can just do it the hard way, but I'd like to know I'm not
trying to reinvent the wheel.

Edward Ackad, Ph.D <>
Assistant Professor of Physics
Computational Nanophotonics
Southern Illinois University Edwardsville
(618) 650-2390