[gmx-users] Understanding about the deleted trajectory file

minnale minnale_gnos at rediffmail.com
Thu Jun 26 14:28:18 CEST 2008

Thanks for your reply,
I think you didnt get what I have asked.  
I want to ask that, assume that one simulation is running, while running the simulation By mistake although delete .trr file the simulation runs in terminal like

 step 25258, will finish at Thu Jun 26 20:34:40 2008

If deleted the .trr file where trjectory information will go?
I hope you got it now.
On Thu, 26 Jun 2008 Justin A.Lemkul wrote :
>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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