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On 11/16/11 2:09 PM, James Starlight wrote:
<blockquote
cite="mid:CAALQopwnPWB-2TzwtoRtYvzo37peJxQWnG_j_eTxPHGb013HVA@mail.gmail.com"
type="cite">Dear Gromacs Users!<br>
<br>
<br>
<br>
I wounder to know how I can obtain .gro file from the unfinished (
e.g termenated or crashed ) MDrun. I Have only trajectory of my
system in .trr<br>
How I can obtain gro file from that .trr wich would correspond to
the last simulation time before my simulation was stoped ?<br>
<br>
I've tried to use trjconv for that purpose but as I understood for
this program trajectory in xtc format is needed. <br>
<br>
<br>
Thanks <br>
<br>
James<br>
<br>
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<br>
</blockquote>
trjconv gets this kind of inputs<br>
<br>
Trajectory: xtc trr trj gro g96 pdb cpt <br>
<br>
should work for you.<br>
See<br>
<a class="moz-txt-link-freetext" href="http://manual.gromacs.org/online/trjconv.html">http://manual.gromacs.org/online/trjconv.html</a><br>
<pre class="moz-signature" cols="72">--
Gianluca Santoni,
Institut de Biologie Structurale
41 rue Horowitz
Grenoble
_________________________________________________________
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