Re: "wrapAll on" with a complex

From: Jerome Henin (jhenin_at_vitae.cmm.upenn.edu)
Date: Thu Oct 05 2006 - 22:08:18 CDT

Gianluca:
Using VMD with the attached script should solve that. Just source the Tcl file
and use the 'unwrap' procedure.
Best,
Jerome

Le mardi 3 octobre 2006 01:01, Gianluca Interlandi a écrit :
> I am performing a simulation of a complex consisting of two proteins. I am
> using the option "wrapAll on". One of the two proteins has reached one of
> the boundaries of the box and it has been wrapped around. The other
> protein is still in the same position.
>
> Is there a way to "recover" from the wrapping a posteriori, i.e., to bring
> the protein back to its original image?
>
> Thanks a lot,
>
> Gianluca
>
> -----------------------------------------------------
> Dr. Gianluca Interlandi gianluca_at_u.washington.edu
> +1 (206) 685 4435
> +1 (206) 714 4303
> http://biocroma.unizh.ch/gianluca/
>
> Postdoc at the Department of Bioengineering
> at the University of Washington, Seattle WA U.S.A.
> -----------------------------------------------------


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