From: Axel Kohlmeyer (
Date: Fri Feb 02 2007 - 11:19:06 CST

On Fri, 2 Feb 2007, Veronika Brazdova wrote:

VB> Dear all,

dear veronika,

VB> I have several molecules loaded in VMD and would like to create
VB> a selection containing more than one molecule. I tried variants of
VB> set sel1 [atomselect x all]
VB> but the problem is that atomselect will only accept one integer number
VB> in place of x, not a list or a range.

atom selection are inherently tied to a single molecule.

VB> I also tried to load more molecules into one (by not selecting
VB> "New molecule" in the New Molecule menu but rather an existing one)
VB> but that did not work.

this cannot work, because VMD will read the 'structure' only from
the first molecule, and then only read the coordinates, i.e. it will
refuse any second data set that does not have the matching number
of atoms.

what you have to do is to merge the files. what type of files do
you have? is this just pdb files, or .psf/.dcd trajectories, or??


VB> Thanks for your help
VB> Veronika

Axel Kohlmeyer
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.