<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Dear All,</div><div> </div><div>I am practicing the on-line tutorial <a href="http://www.nmr.chem.uu.nl/~tsjerk/course/md-tutorial/">http://www.nmr.chem.uu.nl/~tsjerk/course/md-tutorial/</a>.</div><div> </div><div>In the step "mdrun -v -deffnm 1LW9-EM-solvated" of "Energy minimization of the solvated system", it says "</div><div>Converged to machine precision , <font>but not to the requested precision Fmax < 1". Before this step, all the other steps run fine.</font></div><div> </div><div>In the step "grompp -v -f pr.mdp -c 1LW9-EM-solvated.gro -p 1LW9.top -o 1LW9-PR.tpr" of "Relaxation of solvent and hydrogen atom positions: Position restrained MD", it says "</div><div>Fatal error: <font>number of coordinates in coordinate file (1LW9-EM-solvated.gro, 32748) <font>does not match topology
(1LW9.top, 0)"</font></font></div><div><font></font> </div><div> </div><div>I am looking forward to getting a reply from you on how to what leads to the error message.</div><div> </div><div>Cheers,</div><div> </div><div>Acoot</div></div></body></html>