VMD-L Mailing List

From: prakhar gupta (dei.prakhar_at_gmail.com)
Date: Tue Oct 23 2012 - 12:10:45 CDT

Yes this was the problem ..Thanks..I have one more question : if I want to
write a .xyz file from VMD (say from CNT builder) please tell me how I can
do it.

On Tue, Oct 23, 2012 at 10:22 PM, John Stone <johns_at_ks.uiuc.edu> wrote:

> Hi,
> I don't know what kind of file your ".cnt10" file is, but I'm fairly
> certain VMD does not contain a plugin that can read it. VMD does have a
> plugin for reading XYZ files. If you get an error when you try to load
> the XYZ file, it may be in a format that the VMD XYZ plugin doesn't
> understand. The XYZ format that VMD understands looks more or less like
> this:
> 7
> test.xyz 0.0000000
> N 65.19100 22.03700 48.57600
> C 66.43400 22.83800 48.37700
> C 66.14800 24.07500 47.53400
> O 65.32700 24.91600 47.90200
> C 67.50300 21.98100 47.70200
> N 66.83700 24.17600 46.40100
> C 66.66900 25.29600 45.48300
>
>
>
> On Tue, Oct 23, 2012 at 07:20:50PM +0530, prakhar gupta wrote:
> > Hello everyone
> >
> > I am using VMD for Windows. When I enter "mol new data.cnt10" in
> > tkconsole it gives me error as "Could not determine file type for
> file
> > 'data.cnt10' from its extension."
> > Therefore I used another file created in VMD only (for LAMMPS) via "
> mol
> > new graph.xyz " It gives error as " Unable to load file 'grap.xyz'
> using
> > file type 'xyz'. "
> > Moreover I am working in same directory where file is present.
> >
> > Please suggest how can I run the files without any error.
> >
> > Thanks!!!
> >
> > --
> > Prakhar Gupta
> >
> > Research Associate
> > Faculty of Engineering
> > Dayalbagh Educational Institute (DEI),Agra
> > India
> > www.dei.ac.in
>
> --
> 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
> 

-- 
*Prakhar Gupta
*
*Research Associate*
*Faculty of Engineering*
*Dayalbagh Educational Institute (DEI),Agra*
*India*
*
*
*www.dei.ac.in*