[gmx-users] Understanding about the deleted trajectory file

[Tsjerk Wassenaar]

Minnale,

A file is (generally) data on a disk, of which the operating system
knows where it is. Knowing where the file is depends on the inode of
the file. Deleting a file is usually removing the inode, not the data.
But once the inode is removed, the data can no longer be recognized as
a certain file. If you write to a trajectory and you remove the inode,
the data simply goes void... it's written to be forgotten.

Tsjerk

On Thu, Jun 26, 2008 at 2:28 PM, minnale <minnale_gnos at rediffmail.com> wrote:
>
> 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.
>>
>>-Justin
>>
>>>
>>>Share Khan
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>>>
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>>-- ========================================
>>
>>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
>>
>>========================================
>>
>
>
>
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623