<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div><span><br></span></div><span style="font-weight: bold; font-family: arial,helvetica,sans-serif;">Hello</span><br style="font-weight: bold; font-family: arial,helvetica,sans-serif;"><span style="font-weight: bold; font-family: arial,helvetica,sans-serif;">I want to make sure about the command that I use. I have MD result for protein simulation MD for 1 ns. I want to continue this simulation for longer time. Check point file should be used for continuation:</span><br><div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"><div style="font-family: times new roman, new york, times, serif; font-size: 12pt;"><font face="Arial"><font size="3"><pre>grompp -f md.mdp -c md-out.gro -t md.cpt -p topol.top -o md_2.tpr<br><br>** md-out.gro is the latest coordinate file that I have after 1 ns MD
simulation<br><br>** md.cpt is the output of 1 ns simulation<br><br><span style="font-family: arial,helvetica,sans-serif; font-weight: bold;">Is this command line enough to get the appropriate run input file for continuation?</span><br style="font-family: arial,helvetica,sans-serif; font-weight: bold;"><br style="font-family: arial,helvetica,sans-serif; font-weight: bold;"><span style="font-family: arial,helvetica,sans-serif; font-weight: bold;">Thanks for your time</span><br style="font-family: arial,helvetica,sans-serif; font-weight: bold;"><span style="font-family: arial,helvetica,sans-serif; font-weight: bold;">D.M</span><br></pre></font></font> </div> </div> </div></body></html>