VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Fri Sep 25 2009 - 09:11:49 CDT

On Fri, 2009-09-25 at 16:03 +0200, Luca Gelisio wrote:
> I'm sorry Axel, your absolutely right:
>
> VMD version: 1.8.7 (2009-08-01)
> platform: Linux (64-bit x86) with CUDA
> specs: Intel i7 CPU 920 @ 2.67GHz, 6Gb RAM + 12 Gb swap, NVIDIA GTX295
> +
> NVIDIA GTX285, 500Gb HD
> OS: Ubuntu Linux 9.04

ok, thanks.

i could identify the cause for the segfault and change the
psf plugin code so that it doesn't cause a segfault anymore.

however, the cause is - as john mentioned - that the regular
psf format cannot hold a system this large and thus the
module in the psf reader plugin gives up when reading the
bonds section.
reading the .pdb file works fine, though.

if that is not sufficient, you have to go with what john suggested.

ciao,
    axel. 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com 
Institute for Computational Molecular Science
College of Science and Technology
Temple University, Philadelphia PA, USA.