<br clear="all">hiii<br>
thank for your reply mark sory for pasting other url<br>
iam using gromacs 3.3 version on sunsolaris platform,my protein contain 86 aminoacid and iam trying to unfold it at 640k<br>
hear iam pasting the command which i was used for final mdrun <br>
grompp -c 1HB6M_pr.gro -p 1HB6M.top -o 1HB6uf_b4full.tpr -f full.mdp<br>
mdrun -v -s 1HB6uf_b4full.tpr -o 1HB6uf_full.trr -c 1HB6uf_full.gro -e 1HB6uf_full.edr -g 1HB6uf_full.log -nice 0<br>
iam trying to simulate for 300ps (150000 steps),but it terminated after running step 22790(after1 hour)<br>
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the replay which i have seen in users archieve<br>
<pre>><i> Hi all, <br></i>><i> <br></i>><i> a short simulated-annealing simulation crashes with:<br></i>><i> <br></i>><i> Program mdrun, VERSION 3.3.2<br></i>><i> Source code file: gmxfio.c, line: 784<br>
</i>><i><br></i>><i> Fatal error:<br></i>><i> Can not read/write topologies to file type trr</i></pre>
<pre><i><br></i>><i> I read the a bit the sourcecode of and it seems as if it does sth like <br></i>><i> determining and setting the do_read/write functions for file I/O.<br></i>><i> <br></i>><i> Any idea where this could come from?<br>
</i><br><span style="font-weight: bold;">try a clean compile (make distclean; configure and so on).</span><br><br>><i> <br></i>><i> Best<br></i>><i> Martin<br><br>regards<br>vijay<br></i></pre>
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