From: Axel Kohlmeyer (akohlmey_at_cmm.chem.upenn.edu)
Date: Fri Jun 26 2009 - 15:41:03 CDT
On Fri, 2009-06-26 at 16:15 -0400, Payel Das wrote:
> Hello all,
a few remarks before answering your question.
a) bigdcd is a VMD script, so your question is a VMD
question. posting your question on the VMD mailing list
would be more appropriate and has a higher chance
to get a competent answer.
b) the address of the mailing list is namd-l_at_ks.uiuc.edu
and _not_ owner-name-l_at_ks.uiuc.edu. the latter is the
address of the mailing list maintainer.
> How can I skip every n frames while calculating certain quantities
> using bigdcd.tcl?
the fastest way is:
you can try to modify the "animate read" command line in
the script to include the "skip" keyword. for details on
"animate" check out the VMD user's guide. you should note
that skip will be computed new for each file, so depending
on how many frames you have per file, it may not give a
perfectly evenly spaced analysis.
the careful way is:
write you callback function so that it checks the frame
number argument and process the data only if the timestep
is a multiple of n and otherwise just skip ahead.
> Thanks a lot,
> Payel Das
-- ======================================================================= 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.
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