<div>Dear all,</div>
<div>I performed an md simulation but it crashed at the beginning because according to it "system was exploding". Also when I tried to see the system by ngmx, there was no water anymore and it was only the molecule sitting in the box(after grompp and before mdrun it was a box of water plus the molecule)!!??</div>
<div>So from the information that I found in the mailing list I tried to do energy minimization step only for my system in vacuo. Obviously it was fine, however I got these results: </div>
<div>---------------------------------</div>
<div>Steepest descents converged to Fmax < 1000 in 64 steps</div>
<div>Potential energy = 1.9027975e+04</div>
<div>Maximum force = 6.3652850e+02 o atom 88</div>
<div>Norm of force = 1.6029111e+02</div>
<div>---------------------------------</div>
<div>So my question is should I continue with this potential energy or what. Please give me some suggestions?? Many Thanks in Advance/Jamie</div>
<div> </div>