[gmx-users] Re: .xtc file is incomplete
xianghong001 at gmail.com
Thu Nov 6 23:21:12 CET 2008
haha, thanks for your explanation. Justin. So you think I should stop my
I am trying to test whether my result is reasonable.
On Thu, Nov 6, 2008 at 3:03 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> xianghong qi wrote:
>> Hello, everyone:
>> when I run simulation, I got incomplete .xtc file, incomplete .trr file,
>> but I have a complete log file. Then I use this incomplete to create input
>> file for mdrun, I got the reasonable size of .tpr file.
> I wouldn't trust that .tpr file to contain what you think it does (size
> doesn't matter), at least in terms of the starting time. It will take the
> last frame as input, whatever it may be in the .trr file.
> I am confused what happed there. Does anyone has some idea about this?
> Probably a hardware blip caused the last frame(s) to not be written. I've
> had that happen before.
> actually, when I rerun my simulation, I got the complete .xtc file . I
>> don't know why.
> Probably because the blip didn't happen again :)
>> -Xianghong Qi
>> Some people make the world more special just by being in it.
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> Justin A. Lemkul
> Graduate Research Assistant
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> gmx-users mailing list gmx-users at gromacs.org
> Please search the archive at http://www.gromacs.org/search before posting!
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Some people make the world more special just by being in it.
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