VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Sun Jun 05 2016 - 07:06:53 CDT

On Sun, Jun 5, 2016 at 5:17 AM, Stefano Guglielmo <
stefano.guglielmo_at_unito.it> wrote:

> Dear vmd users,
>
> I am trying to generate a trr trajectory using catdcd 5.1 included in vmd
> 1.9.2 on a centos 7 machine; the plugin seems to encounter some problems as
> it outputs a segmentation fault, but it is able to write dcd trajectories
> and these trajectories are properly read by vmd. When I choose trr format
> as output everything seems to go the same way with a segmentation fault and
> a trajectory written, but this one is not read by vmd nor by gromacs 5.1.2.
> The original dcd is 24 GB and the output trajectories are 3GB.
> Do you have any suggestions?
>

​this is a known problem:

http://www.ks.uiuc.edu/Research/vmd/plugins/updates/vmd192_gromacs_update1/
​
​axel​

> Thanks in advance
>
> --
> Stefano GUGLIELMO PhD
> Assistant Professor of Medicinal Chemistry
> Department of Drug Science and Technology
> Via P. Giuria 9
> 10125 Turin, ITALY
> ph. +39 (0)11 6707678
>
>
>
> <https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail> Mail
> priva di virus. www.avast.com
> <https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail>
> <#m_-637516087847187100_DDB4FAA8-2DD7-40BB-A1B8-4E2AA1F9FDF2>
> 

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.