VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_vitae.cmm.upenn.edu)
Date: Tue Dec 20 2005 - 18:58:28 CST

On Tue, 20 Dec 2005, Nitin Bhardwaj wrote:

NB> Dear VMD users,
NB> I have a very big dcd file (~2GB). Its not being loaded in VMD. It
NB> crashes. So, I was wondering if there is a way to break it into parts

dear nitin,

how much memory do you have on your machine? VMD may be crashing
simply because you run out of memory...

unless you have a very old version of VMD, it should be able to
read files > 2GB if your operating system supports it.

NB> (say 2 parts) so that I can load them separately.

in the file load dialog and also via the script interface
you can specify the first and last frame as well as the
stride. see the user's guide. i'd recommend to first try
loading like every 100th frame to see, if the .dcd file
ist damaged or so.

NB> Also is there another way arond this apart from bearking the DCD file?

i can think of several workarounds, but which one is applicable
depends on a) the cause of the crash and b) what you want to
do with the data, once it is loaded into VMD.

regards,
    axel.

NB>
NB> Any suggestion/help would be greatly appreciated.
NB> Thanks a lot in advance.
NB> Nitin
NB> 

-- 
=======================================================================
Axel Kohlmeyer   akohlmey_at_cmm.chem.upenn.edu   http://www.cmm.upenn.edu
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.