[gmx-users] gmx continuation run

Tsjerk Wassenaar tsjerkw at gmail.com
Mon Oct 8 09:35:41 CEST 2007

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.


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
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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
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