VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Jan 17 2007 - 12:59:16 CST
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Hi,
If you're loading 20,000 frames, you'll need this much
available memory to load the trajectory:
20000 frames * 12 bytes per atom * numatoms
So, if you have 100,000 atoms and 20,000 frames, you'd need:
20000 * 12 * 100000 = 24 gigabytes of memory
If you had 10,000 atoms, then you'd only need 2.4GB of memory.
If you don't want to do the math, another way to evaluate the amount
of physical memory you'll need with the current versions of VMD is
to look at the size of the DCD file itself, which is basically the
same as the math above (unless you have fixed atoms).
Cheers,
John Stone
vmd_at_ks.uiuc.edu
On Wed, Jan 17, 2007 at 01:50:07PM -0500, Vishal Kopardé wrote:
> Hi All,
> I have 20000 frames in my dcd file and while opening it with a step
> of 1 VMD quits after loading ~4100 frames. But if I load with a step
> of 10 then it does load the 2000 frames. Is this due to memory
> restrictions? Is there a way around it?
> Regards,
> Vishal
>
>
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-- 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
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