[gmx-users] trjconv write frames to separate files

Justin A. Lemkul jalemkul at vt.edu
Wed Nov 12 17:41:57 CET 2008



tatsiana kirys wrote:
> Hi,
> 
> i'm trying to write each frame from the bebining time=0.0 to the end 
> time=6000 to a separate file, but it writes only the 1frame at time 0.0:
> 
> trjconv -f 1ktz_p1_em.gro -s 1ktz_p1_em.tpr -o 1ktz_0.pdb -b 0.0 -e 
> 6000.0 -sep
> 
> Reading frames from gro file 'GROningen MAchine for Chemical 
> Simulation', 1148 atoms.
> Reading frame       0 time    0.000
> Precision of 1ktz_p1_em.gro is 0.001 (nm)
> Last frame          0 time    0.000

What does gmxcheck tell you about the .gro file?  It likely does not contain 
6000 ps worth of data.

> 
> i guess i should provide index.ndx of frames.ndx.
> i havn't found anithing about what to write in these files and in what 
> format.
> 

They're not necessary for what you're trying to do.

-Justin

> 
> Tania
> 
> 
> ------------------------------------------------------------------------
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php

-- 
========================================

Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================



More information about the gromacs.org_gmx-users mailing list