<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><br><div><blockquote type="cite"><div><font class="Apple-style-span" color="#000000"><br></font></div><div>>tpbconv -s md.tpr -f md_traj.chk.trr -o md_01.tpr -until 1000</div><div>this shows last step before crashing and starts from there until 1000</div> <div><br></div></blockquote></div><div><blockquote type="cite"><div>then</div><div><br></div><div>>mdrun -s md_01.tpr -o md_traj_01.trr -c minim_water.gro -g md.log -e minim_ener_01.edr</div><div><br></div></blockquote><div><br></div><div>Nothing seem particularly wrong! May be you write your trajectory file </div><div>too often! Did the original the indicated the same amount of data to be</div><div>written? </div><div><br></div><div>which version of gmx you are using? actually using the check point </div><div>file is relatively easy (-cpi fie.cpt to add to mdrun) and does all the work for you!<br><blockquote type="cite"></blockquote></div><div><br></div><blockquote type="cite"><br><div class="gmail_quote">On Tue, Apr 20, 2010 at 7:50 PM, XAvier Periole <span dir="ltr"><<a href="mailto:x.periole@rug.nl">x.periole@rug.nl</a>></span> wrote:<br> <blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><div class="im"><br> On Apr 20, 2010, at 9:14 AM, Bharath.K wrote:<br> <br> <blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"> Hello all....<br> i got a system crash at some steps..<br> after creating the new .trr file using command tpbconv<br> </blockquote></div> trr file with tpbconv? you mean tpr?<br> <blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"> and running MDS<br> </blockquote> what is MDS?<div class="im"><br> <blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"> by mdrun command the approximate finishing time is not showing.....<br> and also a warning is showing as<br> <br> WARNING: this run may generate approximately 4583292 Mb of data....<br> </blockquote></div> That is a bit enormous<div class="im"><br> <blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"> <br> is there any changes that i should do while giving the command and can i continue with this warning.....<br> </blockquote></div> Which exact command did you use?<br> <br> <blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"> <br> <br> -- <br> Bharath.K<br> Ph-9535629260<br> -- <br> gmx-users mailing list <a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a><br> <a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br> Please search the archive at <a href="http://www.gromacs.org/search" target="_blank">http://www.gromacs.org/search</a> before posting!<br> Please don't post (un)subscribe requests to the list. Use thewww interface or send it to <a href="mailto:gmx-users-request@gromacs.org" target="_blank">gmx-users-request@gromacs.org</a>.<br> Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php" target="_blank">http://www.gromacs.org/mailing_lists/users.php</a><br> </blockquote> <br> -- <br> gmx-users mailing list <a href="mailto:gmx-users@gromacs.org" target="_blank">gmx-users@gromacs.org</a><br> <a href="http://lists.gromacs.org/mailman/listinfo/gmx-users" target="_blank">http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br> Please search the archive at <a href="http://www.gromacs.org/search" target="_blank">http://www.gromacs.org/search</a> before posting!<br> Please don't post (un)subscribe requests to the list. Use thewww interface or send it to <a href="mailto:gmx-users-request@gromacs.org" target="_blank">gmx-users-request@gromacs.org</a>.<br> Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php" target="_blank">http://www.gromacs.org/mailing_lists/users.php</a><br> </blockquote></div><br><br clear="all"><br>-- <br>Bharath.K.Chakravarthi<br>Ph:9535629260<br> -- <br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://lists.gromacs.org/mailman/listinfo/gmx-users">http://lists.gromacs.org/mailman/listinfo/gmx-users</a><br>Please search the archive at http://www.gromacs.org/search before posting!<br>Please don't post (un)subscribe requests to the list. Use the <br>www interface or send it to gmx-users-request@gromacs.org.<br>Can't post? Read http://www.gromacs.org/mailing_lists/users.php</blockquote></div><br></body></html>