VMD-L Mailing List

From: maria goranovic (mariagoranovic_at_gmail.com)
Date: Mon Sep 10 2007 - 04:17:44 CDT

Thank you Axel and John for the help. The method recommended by John works.
However, Axel, for some reason, your suggestion does not work. Because
John's method works fine, I did not bother to investigate the problem much
:)

Thanks !

-Maria

On 9/7/07, John Stone <johns_at_ks.uiuc.edu> wrote:
>
>
> Hi,
> You could certainly do that with it. Just maintain a global
> frame counter that is updated every time your proc is called, and
> have your proc early-exit if the global frame counter is below 500.
>
> Cheers,
> John Stone
> vmd_at_ks.uiuc.edu
>
> On Fri, Sep 07, 2007 at 10:47:05AM +0200, maria goranovic wrote:
> > Hi,
> >
> > Is it possible to skip (say) the first 500 frames of a trajectory when
> using
> > bigdcd to analyze a large trajectory ?
> >
> > something like ...
> >
> > bigdcd myprodecure mytraj.dcd skip 500 ?
> >
> > Thank you for the tips
> >
> > Maria
> >
> > --
> > Maria G.
> > Technical University of Denmark
> > Copenhagen
>
> --
> NIH Resource for Macromolecular Modeling and Bioinformatics
> Beckman Institute for Advanced Science and Technology
> University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801
> Email: johns_at_ks.uiuc.edu Phone: 217-244-3349
> WWW: http://www.ks.uiuc.edu/~johns/ <http://www.ks.uiuc.edu/%7Ejohns/> Fax:
> 217-244-6078
> 

-- 
Maria G.
Technical University of Denmark
Copenhagen