[gmx-users] Fwd: Concatenating two trajectories

Venkat Reddy venkat4bt at gmail.com
Tue Apr 22 09:32:53 CEST 2014


No, By default it will give the starting time from where it started. I
doubt your simulation extension has some problem. The commands to extend  a
simulation are
tpbconv -s old.tpr -extend <time in ps> -o new.tpr
mdrun -v -s new.tpr -cpi state.cpt -deffnm new

Hope it will help you.


On Tue, Apr 22, 2014 at 11:00 AM, Sunita <sunita.bio at gmail.com> wrote:

> Hello Venkat,
>
> Yeah, I think by default it will give 0 ps as start time for both
> trajectories and it should be set by user using -settime flag
> Correct me if I am wrong.
>
> Regards
>
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-- 
With Best Wishes
Venkat Reddy Chirasani
PhD student
Laboratory of Computational Biophysics
Department of Biotechnology
IIT Madras
Chennai
INDIA-600036


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