VMD-L Mailing List

From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Thu Jul 05 2007 - 09:47:43 CDT

On Thu, 5 Jul 2007, [iso-8859-15] Philipp Schön wrote:

PS> dear users,

dear philip!

PS> i calculate the g(r) by calling >> set gr [measure gofr $sel0 $sel1
PS> delta .1 rmax 12 usepbc 1 selupdate 1 first 1 last 1000 step 1] <<
PS> which works nicely. However, if I increase the number of frames to
PS> say 2000 gofr crashes. Any clue?

no. can you please run VMD in the debugger (use -debug flag at startup
and then type 'run' + enter) and post the stack trace together with
all operating system/environment related settings.

if you can make it reproducable with a simple VMD script, can
you upload this and the corresponding data to the VMD biofs
on BioCoRE, so that we can investigate.

cheers,
   axel.

PS> cheers
PS> philipp
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-- 
=======================================================================
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.