VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Thu Jan 07 2010 - 06:04:14 CST

> So, it seems to me that there are two possible solutions:
>
> One, to buy more memory.

> Two, try to use bigdcd. In this case, can someone please advise me how to
> view entire trajectories in vmd using bigdcd ?

bigdcd is for batch analysis, _NOT_ for visualization.

i maintain, that just loading the trajectory witih a stride of two
will give you very much the same information than loading
all the frames and your memory issue is gone. when loading
many frames, most of what you see is noise. loading less
frames _and_ using trajectory smoothing is usually _much_
more informative. i am talking from experience, as i do have
a machine with significantly more memory and have looked
at full trajectories with many more frames.

outside of being hardheaded, i cannot find a reason for
needing the whole trajectory in memory.

axel.

> Thank you all for again for helping out
>
> -maria
> 

-- 
Dr. Axel Kohlmeyer    akohlmey_at_gmail.com
Institute for Computational Molecular Science
College of Science and Technology
Temple University, Philadelphia PA, USA.