<div>Dil,</div>
<div> </div>
<div>Thanks for the post. However, my original job was set for 750 ps and ran successfully. Now, I would like to run an additional 750 ps. The tbpconv seems more for restarting after a crash or modifying the original system. I only want to achieve a
1.5 ns simulation. So my questions remain.</div>
<div> </div>
<div>Thanks,</div>
<div> </div>
<div> </div>
<div>Mark<br><br> </div>
<div><span class="gmail_quote">On 8/19/07, <b class="gmail_sendername">Dilraj Lama</b> <<a href="mailto:dennis@iitk.ac.in">dennis@iitk.ac.in</a>> wrote:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid"><br>> I know this will get an rtfm response, however, I am writing this after<br>> looking at the online help pages and perusing the email archive.
<br>><br>> Simply put, I have a 750 ps simulation that I want to run for another 750<br>> ps. Is there a clear explanation somewhere for how one should do this?<br><br>use tpbconv with -extend option<br><br>> Specifically, if I shut off the gen_vel option in my mdp file and use the
<br>> the "-t" option to specify my first trajectory file are these the only<br>> changes necessary? If I keep all other options identical will I get the<br>> 750<br>> ps continuation I desire?<br><br>
There is no need to change the mdp file.Have a look at the tpbconv options.<br>><br>> Thanks for the help.<br>><br>><br>> Mark<br>> _______________________________________________<br>> gmx-users mailing list
<a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br>> <a href="http://www.gromacs.org/mailman/listinfo/gmx-users">http://www.gromacs.org/mailman/listinfo/gmx-users</a><br>> Please search the archive at
<a href="http://www.gromacs.org/search">http://www.gromacs.org/search</a> before posting!<br>> Please don't post (un)subscribe requests to the list. Use the<br>> www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">
gmx-users-request@gromacs.org</a>.<br>> Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php">http://www.gromacs.org/mailing_lists/users.php</a><br><br><br>--<br>Dilraj Lama,<br>Graduate student,
<br>Bioinformatics and Biomolecular Simualtion lab,<br>Dept. of BSBE;IITK-kanpur,<br>Uttar pradesh,India-208016.<br><a href="mailto:email:dennis@iitk.ac.in">email:dennis@iitk.ac.in</a>,<a href="mailto:dilraj2002@yahoo.com">
dilraj2002@yahoo.com</a><br>mob:09415473973<br><br>_______________________________________________<br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://www.gromacs.org/mailman/listinfo/gmx-users">
http://www.gromacs.org/mailman/listinfo/gmx-users</a><br>Please search the archive at <a href="http://www.gromacs.org/search">http://www.gromacs.org/search</a> before posting!<br>Please don't post (un)subscribe requests to the list. Use the
<br>www interface or send it to <a href="mailto:gmx-users-request@gromacs.org">gmx-users-request@gromacs.org</a>.<br>Can't post? Read <a href="http://www.gromacs.org/mailing_lists/users.php">http://www.gromacs.org/mailing_lists/users.php
</a><br></blockquote></div><br>