[gmx-users] Understanding about the deleted trajectory file

Justin A. Lemkul jalemkul at vt.edu
Thu Jun 26 12:15:15 CEST 2008

minnale wrote:
> Hi all,
>       I want to know one thing that if delete .trr file, still job 
> will be running (submitted job), where will go all these trajectories? 
> Regarding  .edr , .log the information will go to respective files by 
> update.
>       Can anyone tell that where trajectories will go, if those go 
> somewhere else, is there anyway to retrieve this trajectories.
> Thanks in advance.

I'm not really sure what you mean.  If you delete a file, it is lost.  
Lesson learned in being careful.  The simulation will continue to run, 
writing to the .log, .edr, and .xtc files, but it will not regenerate or 
recover your .trr file.


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Justin A. Lemkul
Graduate Research Assistant
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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