[gmx-users] Viewing large trajectory files

Tsjerk Wassenaar tsjerkw at gmail.com
Thu Aug 18 09:37:03 CEST 2005


Hi Viswanadham,

If you only want to know the time of the last frame you can issue:

grep t= trajectory.gro | tail -1

which will give you the title line for the last frame (including the
time). If you want to extract the last frame, you can do it with
trjconv, using the .gro trajectory file for both options -f and -s
(though -s should be optional :S)

Hope it helps,

Tsjerk

On 8/17/05, Viswanadham Sridhara <muta.mestri at gmail.com> wrote:
> 
> Hi GMX users,
>  I have fairly simple question ....."Is there any easy way to view
> trajectory files (.gro created by trjconv).  For example, say if the
> A.gro(trajectory file) file is 1GB, I want to see the last frame of this
> trajectory. Please note that I dont know the .tpr file I used to run the
> simulation. My objective is to see the time of simulation of the last
> frame".
>  Best Regards.
> -- 
> Viswanadham Sridhara,
> Graduate Research Assistant,
> Old Dominion University, "VIRGINIA".
>  
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