VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Tue Oct 20 2009 - 09:39:48 CDT

Hi,
  Please have a look at the VMD tutorials, they describe how to use
the atom selection commands to manipulate structures along the lines
of what you want to do:
  http://www.ks.uiuc.edu/Training/Tutorials/

The VMD User's Guide also contains many simple examples.

Cheers,
  John Stone
  vmd_at_ks.uiuc.edu

On Tue, Oct 20, 2009 at 11:08:12AM +0200, priyodorshi satpati wrote:
> Dear All,
>
> My system is phosphate and Mg into a water box. The phosphate is at
> the center of the box. I want to fix the phosphate in place and move
> the Mg atom away from the phosphate (along the vector joining
> Phosphorous and Mg). Lets say i want to move Mg 0.15 Angstrom at each
> step and save the corresponding pdb file. Eventually i will move the
> Mg 1.5 angs and i will save 10 pdb files.
>
> Please let me know how can i do it.
>
> Thanks and regards
>
> Priyadarshi
>
> --
> Dr. Priyadarshi Satpati
> Biocomputing and Structure research Group,
> Laboratoire de Biochimie,
> Ecole Polytechnique,
> 91128 Palaiseau, France
>
> Phone :
> (Off) : +33/(0)1 69 33 48 94
> (Mob) : +33/(0)6 27 75 56 49
> (Res) : +33/(0)177069139 

-- 
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
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078