VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Tue Jan 06 2009 - 19:04:46 CST

On Tue, 6 Jan 2009, Roman Petrenko wrote:

RP> Dcd files can be very easily manipulated with catdcd tool. For example, you
RP> can extract every 100th frame, you can select first and last frames and
RP> thus split the original trajectory into several sub-trajectories.
RP>
RP> http://www.ks.uiuc.edu/Development/MDTools/catdcd/

yes, but using bigdcd is the better tool for the desired result.

whether it will result in something useful is a different story.
the whole thought of having 7GB worth of .dcd converted into .pdb
- which will take up _much_ more space not to mention will take
_much_ longer to be read back into any code - makes me shiver.

axel.

RP>
RP>
RP>
RP> 

-- 
=======================================================================
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.