VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Jun 28 2004 - 15:25:39 CDT

Assuming you're using NAMD and you have the appropriate .xst files,
then this script may do what you're asking for:
  http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/pbcwrap/

  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Jun 28, 2004 at 12:25:24PM -0700, Vani Krishna wrote:
> Hello all:
>
> When i did my simulation, i had turned off wrapping. I
> was wondering is there a script or an easier way in to
> postwrap all the DCD files with a particular origin?
> The origin of my box is not (0,0,0)..but i would like
> all the coordinates to be wrapped/or moved to a
> reference system such that the origin of the box is at
> (0,0,0).
>
> Any help is in this regard is much appreciated..
> Vakri
>
>
>
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-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349              
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