[gmx-users] g_filter question
Berk Hess
gmx3 at hotmail.com
Mon Jan 10 09:41:34 CET 2005
>From: Marc Baaden <baaden at smplinux.de>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: gmx-users at gromacs.org
>Subject: [gmx-users] g_filter question
>Date: Sat, 08 Jan 2005 19:34:09 +0100
>
>
>Hi,
>
>while using g_filter with option -all for movie generation, I noticed
>that some frames go missing. In my particular case from initial 501
>frames, endtime 10000 ps, I obtain 482 frames after g_filter -all -nf 10.
>The new endtime is 9820 ps. I don't quite understand where the 19 other
>frames went, and why g_filter doesn't continue till 10000 ?
The filter has a certain width. If the whole width is not available on both
sides,
one can not obtain a properly filtered frames. One could use only a filter
to one
side only, but I chose not to.
In your case this means you loose 2*(10-1)=18 frames. You loose one more
because I chose to start writing at -nf, so you get nicer times in the
output.
Berk.
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