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Sorry, I sent the wrong steps. This is what I did in order to get the range checking error:<br><br>genconf -f polygly.pdb -nbox 2 2 2 -shuffle -o did_it_work.pdb<br><br>pdb2gmx -f did_it_work.pdb -p did_it_work.top -o did_it_work<br><br>0: GROMOS96 43a1 force field<br><br>editconf -f did_it_work -o -d 1.0<br><br>genbox -cp out -cs -p did_it_work -o b4em<br><br>grompp -v -f em -c b4em -o em -p did_it_work<br><br>The em.mdp is from the speptide tutorial.<br><br>mdrun -v -s em -o em -c after_em -g emlog<br><br>ERROR:<br>Range checking error:<br>Explanation: During neighborsearching, we assign each particle to a grid<br>based on its coordinates. If your system contains collisions or parameter<br>errors that give particles very high velocities you might end up with some<br>coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot<br>put these on a grid, so this is usually where we detect those errors.<br>Make sure your system is properly energy-minimized and that the potential<br>energy seems reasonable before trying again.<br><br>Variable ci has value -2147483648. It should have been within [ 0 .. 150 ]<br><br>Thanks guys for your help and sorry if I'm frustrating you.<br> </body>
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