Dil, 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.
Thanks, Mark On 8/19/07, Dilraj Lama <[EMAIL PROTECTED]> wrote: > > > > I know this will get an rtfm response, however, I am writing this after > > looking at the online help pages and perusing the email archive. > > > > Simply put, I have a 750 ps simulation that I want to run for another > 750 > > ps. Is there a clear explanation somewhere for how one should do this? > > use tpbconv with -extend option > > > Specifically, if I shut off the gen_vel option in my mdp file and use > the > > the "-t" option to specify my first trajectory file are these the only > > changes necessary? If I keep all other options identical will I get the > > 750 > > ps continuation I desire? > > There is no need to change the mdp file.Have a look at the tpbconv > options. > > > > Thanks for the help. > > > > > > Mark > > _______________________________________________ > > gmx-users mailing list [email protected] > > http://www.gromacs.org/mailman/listinfo/gmx-users > > Please search the archive at http://www.gromacs.org/search before > posting! > > Please don't post (un)subscribe requests to the list. Use the > > www interface or send it to [EMAIL PROTECTED] > > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > > > -- > Dilraj Lama, > Graduate student, > Bioinformatics and Biomolecular Simualtion lab, > Dept. of BSBE;IITK-kanpur, > Uttar pradesh,India-208016. > email:[EMAIL PROTECTED],[EMAIL PROTECTED] > mob:09415473973 > > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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