VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Jul 16 2012 - 11:44:02 CDT

Hi,
  As far as the mouse goes, what Axel says is correct. However, if
you are using a 6DOF input device via the Graphics|Tools menu, you can
apply forces to an arbitrary atom selection by using the "assigned rep"
tab, and selecting the appropriate molecule and representation to apply
the forces to. This gives you the ability to use any selection you want,
though it will have to be associated with a graphical representation.

Let me know if this is what you're after, or if you really want something
that also works for the mouse based interface.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Jul 16, 2012 at 06:25:49PM +0200, Axel Kohlmeyer wrote:
> On Mon, Jul 16, 2012 at 5:25 PM, Thomas C. Bishop <bishop_at_latech.edu> wrote:
> > When doing IMD w/ VMD one can use the GUI to select
> > atom, residue or fragment for applying forces during IMD
> >
> > Can the atomselections commands be used in a text console
> > to pick groups of atoms to which the force will be applied?
>
> no.
>
> atom/residue/fragment are how the force of the effector
> is applied and is more like a "pick" option than a selection.
>
> axel.
>
>
> >
> > The atom,residue,fragment options are too limited for my task.
> >
> > Thanks in advance for any info
> >
> > TOm
> >
> > --
> > *******************************
> > Thomas C. Bishop
> > Tel: 318-257-5209
> > Fax: 318-257-3823
> > www.latech.edu/~bishop
> > ********************************
> >
>
>
>
> --
> Dr. Axel Kohlmeyer akohlmey_at_gmail.com http://goo.gl/1wk0
> International Centre for Theoretical Physics, Trieste. Italy. 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
http://www.ks.uiuc.edu/~johns/           Phone: 217-244-3349
http://www.ks.uiuc.edu/Research/vmd/       Fax: 217-244-6078