<font size="2"><font face="arial,helvetica,sans-serif">Hi all,<br><br>I'm trying to restart a simulation from a power source failure, but mdrun complains about a missing .trr file:<br><br></font></font><blockquote style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;" class="gmail_quote">
Program mdrun, VERSION 4.0.7<br>Source code file: ../../../../src/gmxlib/gmxfio.c, line: 737<br><br>Can not open file:<br>traj.trr<br><br></blockquote><div><br>The manual says that there is no need to supply more information than:<br>
<br><blockquote style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;" class="gmail_quote">mdrun -s topol.tpr -cpi state.cpt -append<br></blockquote><div><br>Do I have to write all the output files in the above command line? Or there was something wrong when gromacs wrote the checkpoint file?<br>
<br>Any help is appreciated.<br><br>Thanks in advance,<br><br>Luís Pereira<br></div></div>