[gmx-users] Restart

Dilraj Lama dennis at iitk.ac.in
Sun Aug 19 19:35:01 CEST 2007


> 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    gmx-users at gromacs.org
> 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 gmx-users-request at gromacs.org.
> 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:dennis at iitk.ac.in,dilraj2002 at yahoo.com
mob:09415473973




More information about the gromacs.org_gmx-users mailing list