Re: loading of large dcd files

From: Joshua Adelman (jadelman_at_berkeley.edu)
Date: Thu Feb 26 2009 - 00:10:44 CST

This question is best suited for the VMD list, but in general there
shouldn't be any problem loading that many frames into VMD, provided
that you have enough memory and the input files aren't corrupted.
Again I would direct your question to the VMD list. But as a test to
prove to yourself whether it is a VMD or input file problem, you
could create a similarly large dcd file by using catdcd to string
together your initial pdb file 10000x and then try to load that.

Good luck.

Josh

On Feb 25, 2009, at 9:54 PM, sripad chandan wrote:

> dear friends,
> i have run a molecular dynamics simulation of 20 ns in 10 steps of
> 2 ns with total 10000 frames.
> when i am trying to load the files one after another in VMD it
> crashes after around 7500 frames.
> can somebody suggest anything for it?
> thanks in advance.
> chandan
>
> ps: alex i got the script for energy value extraction. thanks for
> your advice.
>
> --
> Sripad Chandan Patnaik
> Research Scholar
> National Institute of Technology, Rourkela
> +91-9861668977

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Joshua L. Adelman
Biophysics Graduate Group Lab: 510.643.2159
218 Wellman Hall Fax: 510.642.7428
University of California, Berkeley http://nature.berkeley.edu/
~jadelman
Berkeley, CA 94720 USA jadelman_at_berkeley.edu
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