[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
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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

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