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<small>Hi:</small><big><br>
</big><small> everyone.</small><big><br>
</big><small> I has got that the error:</small><big><br>
</big><small>///////////////////////////////////////////////////////////////////////////////////////////////////////
</small><big><br>
</big><small>Back Off! I just backed up 1.2.log to ./#1.2.log.2#
</small><big><br>
</big><small>Reading file gmx_workload2.tpr, VERSION 4.0 (single
precision)
</small><big><br>
</big><small>Note: file tpx version 58, software tpx version 83
</small><big><br>
</big><big><br>
</big>
<small>Converting input file with group cut-off scheme to the Verlet
cut-off scheme
</small><big><br>
</big><big><br>
</big><big><br>
</big>
<small>Converting switched or shifted interactions to a shifted
potential (without force shift), this will lead to slightly
different interaction potentials
</small><big><br>
</big><big><br>
</big>
<small>-------------------------------------------------------
</small><big><br>
</big><small>Program mdrun, VERSION 4.6
</small><big><br>
</big><small>Source code file:
/home/shwzhou/gromacs/gromacs-4.6/src/kernel/runner.c, line: 741
</small><big><br>
</big><big><br>
</big>
<small>Fatal error:
</small><big><br>
</big><small>Will not convert old tpr files to the Verlet cut-off
scheme with free-energy calculations or implicit solvent
</small><big><br>
</big><small>For more information and tips for troubleshooting,
please check the GROMACS
</small><big><br>
</big><small>website at <a class="moz-txt-link-freetext"
href="http://www.gromacs.org/Documentation/Errors">http://www.gromacs.org/Documentation/Errors</a>
</small><big><br>
</big><small>-------------------------------------------------------<br>
<br>
/////////////////////////////////////////////////////////////////////////////////////////////////////<br>
<br>
<br>
what is more,I can not find the way to solve it in the error
pages.<br>
I have got the idea that I can wrtie an app to translate it to a
newer version ,but I do not konw the binary structure of it.<br>
so,if you can provide me a way to solve this problem or tell me
how I can write such an app to make it?<br>
<br>
beg for your help!<br>
<br>
<br>
thanks a lot!<br>
<br>
<br>
<br>
</small>
<p><small><small>
</small></small></p>
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