VMD-L Mailing List
From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Jul 05 2013 - 07:14:28 CDT
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On Fri, Jul 5, 2013 at 5:37 AM, Christian Wohlschlager
<Christian.Wohlschlager_at_jku.at> wrote:
> Hello !
>
> I ve two molekule (each ~ 2200 Atoms) for each a pdb + psf file
> using the moveby command i can shift them
> then i want to make i new pdb and psf file from this to start i IMD with
> namd.
didn't you ask the same question just a couple days ago?
if you move coordinates around, you can always write out a new pdb and
use the merge structure plugin, or use topotools directly, as i
suggested before.
> I remember it was done with the lappend command, but not being sure.
no. lappend handles Tcl lists. it has no idea of molecules.
> Does anybody knows how this works
>
> mfg
>
> christian
>
> -- Johannes Kepler Universitaet
> -- Christian Wohlschlager
> -- Altenbergerstr.69
> -- 4040 Linz Austria
> -- Tel: +43 732 2468 8595
> - Mail:christian.wohlschlager_at_jku.at
-- Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0 International Centre for Theoretical Physics, Trieste. Italy.
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