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On 30/08/2011 1:14 PM, Payman Pirzadeh wrote:
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<p class="MsoNormal">Hello,<o:p></o:p></p>
<p class="MsoNormal">My simulation crashed in the middle and I
used the “<i>–cpi checkpoint.cpt –append”</i> option to
continue. However, GROMACS cannot continue and complains about
not being able to open the corresponding .trr file. I checked
my folder, the trr file is there and the name is the same as
the *.tpr and *.cpt files. What else could have caused this
problem?</p>
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<br>
Some kind of filesystem-based locking mechanism sounds most likely.
If a zombie process of the old run still has the file, you might not
be able to open it again. Also, check the file permissions.<br>
<br>
Mark<br>
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