VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Tue Aug 22 2006 - 07:46:27 CDT

On Tue, 22 Aug 2006, Lechuga, Javier wrote:

JL> Hello,
JL>

JL> When trying to open big files with VMD I am having memory allocation
JL> errors. Is there a way to bypass this?. Molecular dynamics usually
JL> get to give huge result files.

you have a number of options:
 - buy more memory for your machine
 - save data less frequently
 - load only parts of your trajectory
 - use a stride > 1 when loading trajectories
 - use the bigdcd script when running analysis functions

cheers,
    axel.

JL>
JL> Thank you
JL> 

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