[gmx-users] g_anaeig

SWAPNA swapna.lekkala at gmail.com
Tue Mar 18 19:13:03 CET 2008


Dear gmx users,
I am using g_anaeig to filter my traj along the first eigenvector.

'g_anaeig -b 5000 -f 15000 -v eigenvec.trr -f calpha.tpr -s
calpha.xtc-first 1 -last 1 -filt alongeigvec1 -dt 100'
5000ps to 15000ps has equilibriated trajectory. So I am using that to
perform essential dynamics.

When I do this it gives segmentation fault as below
------------
Reading frame       0 time    0.000   Segmentation fault
-----------------

When I give -b 0 -e 15000 it works without any problem.
But it stops reading frames before the end time is 15000.

-----------
Reading frame   29000 time 14500.001
----------

can I get filtered trajectory for -b 5000 -f 15000 ?


Thanks!!
Swapna


On Tue, Mar 18, 2008 at 9:16 AM, Maik Goette <mgoette at mpi-bpc.mpg.de> wrote:

> Thank you Sir
>
> If this was fake or not...Me and my dear colleagues had a good laugh,
> anyway...also about the nice comments.
>
> Maybe this inspires: http://www.youtube.com/watch?v=qiSkyEyBczU
>
> "Black hole sun, won't you come...."
>
> Regards
>
> Maik Goette, Dipl. Biol.
> Max Planck Institute for Biophysical Chemistry
> Theoretical & computational biophysics department
> Am Fassberg 11
> 37077 Goettingen
> Germany
> Tel.  : ++49 551 201 2310
> Fax   : ++49 551 201 2302
> Email : mgoette[at]mpi-bpc.mpg.de
>        mgoette2[at]gwdg.de
> WWW   : http://www.mpibpc.gwdg.de/groups/grubmueller/
>
>
> roger han wrote:
> > Dear mister gromacs
> >
> > My professor interested in black wholes. How can I put a particle in a
> box and set mass to infinity? Which solvent is best choice and could there
> be problems with pressure? I'm also not sure about periodic boundaries.
> Could two black wholes see each other if box too small?
> >
> > Many thanks
> >
> > Ben
> > _________________________________________________________________
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-- 
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