VMD-L Mailing List

From: Richard Wood (Richard.Wood_at_purduecal.edu)
Date: Mon Jul 06 2015 - 20:14:20 CDT

Well, I don't know what you call it when the file causes the program to crash other than "too large to read"-over loads memory maybe?

Richard
________________________________________
From: Axel Kohlmeyer [akohlmey_at_gmail.com]
Sent: Monday, July 06, 2015 8:12 PM
To: Richard Wood
Cc: vmd-l_at_ks.uiuc.edu
Subject: Re: vmd-l: reading in trajectory file causes VMD to crash

On Mon, Jul 6, 2015 at 8:52 PM, Richard Wood
<Richard.Wood_at_purduecal.edu> wrote:
> Hi all,
>
> I have a simulation that has run for 337000 steps, but, unfortunately, has crashed. 337 steps have been written to a dcd file. The resultant dcd file is too large to read into VMD (the program crashes after reading in about 250 frames or so). Is there any workaround for me to get the last structure so I can start my simulation again? All I have is the starting geometry, the psf and the dcd file (no other restart files). Surely there is something I can read this file into.

i don't get the "too large to read" part. if all you care about is the
last few frames, just tell VMD to skip over the first 300 or so by
changing the entry of the first frame to load in the file load dialog.

axel.

>
> TIA,
> Richard
> 

--
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.