VMD-L Mailing List

From: Shantipriya Tenneti (dl_poly_shanti_at_lycos.com)
Date: Mon Jul 28 2003 - 13:04:31 CDT

Dear Sir,
 
     I had infact used BABEL to convert it from the .xyz format to the .pdb format.

& it still shows a single frame.
That is the reason I dont know what to do. 

--
--------- Original Message ---------
DATE: Mon, 28 Jul 2003 09:13:51
From: "Axel Kohlmeyer" <axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de>
To: dl_poly_shanti_at_lycos.com, vmd-l_at_ks.uiuc.edu
Cc: 
>>>> "ST" == Shantipriya Tenneti <dl_poly_shanti_at_lycos.com> writes:
>
>
>ST> Dear Mr.Stone,
>  
>ST>         I have loaded a .xyz file having 1242 atoms & got .pdb as the output..
>
>ST> When I loaded it into VMD.. I saw the molecular structure but then, it only has a single frame. 
>
>ST> I even got a history file from DL_POLY having 10 time steps & loaded it into VMD but then it still showed me a single frame.
>
>ST> Am I not doing things correctly? how can I get multiple frames so that I could see the animated molecular structure?
>
>ST> -Shanti
>
>
>dear shanti,
>
>this should be fixed in the upcoming version 1.8.2 of vmd.
>in the meantime you should be able to read your xyz files using
>the 'Convert from: XYZ' file type, i.e. implicitely running it through
>babel.
>
>hope this helps,
>     axel.
>
>
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>
>--
>
>=======================================================================
>Axel Kohlmeyer       e-mail: axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de
>Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
>Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
>D-44780 Bochum                   http://www.theochem.ruhr-uni-bochum.de
>=======================================================================
>If you make something idiot-proof, the universe creates a better idiot.
>
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