VMD-L Mailing List
From: Prof. Eddie (eackad_at_siue.edu)
Date: Mon Sep 28 2015 - 18:57:37 CDT
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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.
Thanks,
Eddie
-- _________________________________________________________ Edward Ackad, Ph.D <http://www.siue.edu/%7Eeackad> Assistant Professor of Physics Computational Nanophotonics Southern Illinois University Edwardsville (618) 650-2390
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