[gmx-users] problem in making a trajectory

Justin A. Lemkul jalemkul at vt.edu
Sat Jun 16 13:52:05 CEST 2012



On 6/16/12 7:41 AM, francesca vitalini wrote:
> Dear Justin,
>
> this is my trjcat command
>
>   /home/cocktail/vitalini/gromacs_special/bin/trjcat -f
> /home/cocktail2/vitalini/reverse_transformation_vacuum/300-65-100/300-65-100_annealing.gro
> /home/cocktail2/vitalini/reverse_transformation_vacuum/300-65-100/300-65-100_annealing2.gro
> /home/cocktail2/vitalini/reverse_transformation_vacuum/300-65-100/300-65-100_min.gro
> /home/cocktail2/vitalini/reverse_transformation_vacuum/300-65-100/300-65-100_min1.gro
> -o
> /home/cocktail2/vitalini/reverse_transformation_vacuum/300-65-100/300-65-100_traj_tot.xtc
> -settime -cat
>
> I'm using the settime command to have each structure at a different time step.
> If I was using it wrongly please correct me.
>

You should be prompted to then set a time value for each frame, is that not the 
case?

-Justin

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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