[gmx-users] gmx continuation run

[Tsjerk Wassenaar]

Hi Vijaya,

Did you note that tpbconv -extend extends the _remaining_ runtime with the
amount given. So if the frame used for the continuation run had 140 ps
remaining and you use -extend 5, you'll have 145 to go.

Tsjerk

On 10/8/07, Mark Abraham <Mark.Abraham at anu.edu.au> wrote:
>
> vijaya subramanian wrote:
> > Hi
> > When I submit continuation runs with the following commands I find that
> the the run is not extended for the time set by the tpbconv (5 ps) command
> but an arbitrary time of 145 ps.
> >
> > tpbconv -s full3.tpr -f full3.trr -extend 5 -time 1150 -o full4tc.tpr
>
> What output do you get here?
>
> 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
>



-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20071008/0263d970/attachment.html>