VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Mon Aug 07 2006 - 11:46:34 CDT

Hi,
  If analyzing your large trajectories is running your system out of
memory, you will want to have a look at the "BigDCD" script which enables
easy processing of trajectories for frame-at-a-time analysis calculations:
  http://www.ks.uiuc.edu/Research/vmd/script_library/scripts/bigdcd/

  John Stone
  vmd_at_ks.uiuc.edu

On Mon, Aug 07, 2006 at 04:38:34PM +0000, Arturas Ziemys wrote:
> HI,
>
> I have big DCD files. I write some Tcl scripts to analyze my MD results, but VMD or system sometimes get unstable.
>
> Is there any way to load DCD file frame by frame when my script demands some data from the trajectory file, say : going through frames with a loop like 'for' ? I am searching the way instaead of loading all trajectory at once at the begining.
>
> Arturas
> 

-- 
NIH Resource for Macromolecular Modeling and Bioinformatics
Beckman Institute for Advanced Science and Technology
University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
Email: johns_at_ks.uiuc.edu                 Phone: 217-244-3349
  WWW: http://www.ks.uiuc.edu/~johns/      Fax: 217-244-6078