VMD-L Mailing List

From: bo baker (bo.bybaker_at_gmail.com)
Date: Wed Feb 11 2009 - 16:01:37 CST

Hi, John:

I would like the backbone to be fixed, only side chains to be minimized.

I can set up the pdb with CA "fixed" by Tcl, but I don't know what to
type with NAMD GUI interface?

Thanks

Bo

On 2/9/09, John Stone <johns_at_ks.uiuc.edu> wrote:
>
> Bo,
> I believe you're supposed to select that atoms that
> are mobile (i.e. not fixed). Thus the default value of "all".
>
> Cheers,
> John
>
>
> On Mon, Feb 09, 2009 at 09:17:15AM +1100, bo baker wrote:
> > Hi, VMD:
> >
> > I would lile to use NAMD GUI interface to set up energy minimization
> > on side chains with CA fixed. Which words should be typed in the
> > "select fix and mobile atom"?
> >
> > Thank you for your advice
> >
> > Bo
>
>
> --
> NIH Resource for Macromolecular Modeling and Bioinformatics
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> University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
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>