From: Axel Kohlmeyer (axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de)
Date: Wed Mar 30 2005 - 05:06:49 CST

On Wed, 30 Mar 2005 09:54:37 +0200 Nicolas CHARVIN wrote:

> Hi

nicolas,

to the best of my knowledge, the amount of atoms VMD can
handle is limited by the amount of memory. you'll most
likely need a pretty powerful workstation to be able
to handle that.

this question or similar ones have come up before. so it
helps to search the mailing list archive. see, e.g.:

http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/1166.html
http://www.ks.uiuc.edu/Research/vmd/mailing_list/vmd-l/2831.html

regards,
        axel.

> Is there any existing benchmark concerning the maximum of atoms in a
> molecule VMD is able to load ?
> Within our own MD software, we typically use molecules with approx. 1
> million atoms. So, before writing a plugin to read our files, we'd like to
> know if VMD is able to handle them ?
>
> the only benchmark I found is: http://pymol.sourceforge.net/pmimag/compare.ht
ml
>
> but, it's limited to 52,000 atoms.
>
>
> Does any of you have loaded a "huge" molecule, on which hardware
> configuration, and with wich results ?
>
> thanks in advance
>
> nicolas
>
>
> --
> Nicolas.Charvin_at_univ-savoie.fr
> LMOPS - Lab. Matériaux Organiques à Propriétés Spécifiques
> Bât IUT - Université de Savoie
> 73376 LE BOURGET DU LAC CEDEX
> Tel: 04-79-75-86-53
>
> http://www.univ-savoie.fr/labos/lmops
>
>

--
=======================================================================
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.