[gmx-users] cut the trajectory in small sub-trajectories

Cuong Nguyen nvcuong68 at gmail.com
Mon Jan 18 11:43:18 CET 2016


Hi Tsjerk,

Thanks a lot for reply. My reason for splitting the trajectory into small
trajectories is that I want to get the average temperature as a function of
the box's length. Do you have any suggestions?

Best regards,

Van



Cuong Van Nguyen (PhD Student)
Department of Chemical Engineering
Curtin University, Western Australia
Tel. (+61) 45 221 3981


On 17 January 2016 at 03:55, Tsjerk Wassenaar <tsjerkw at gmail.com> wrote:

> Hi Van,
>
> That's not possible. Your frames would have different numbers of atoms over
> time.
>
> Cheers,
>
> Tsjerk
>
> On Sat, Jan 16, 2016 at 4:24 PM, Cuong Nguyen <nvcuong68 at gmail.com> wrote:
>
> >  Hi Gromacs Users,
> >
> > I have a trajectory (.xtc) of a simulated box (3x3x10) and would like to
> > cut it in small sub-trajectories (ten 3x3x1) with the same time duration.
> > it is recommended using trjconv in the manual, however I could not find
> the
> > option to do this.
> >
> > All suggestions are highly appreciated.
> >
> > Thanks,
> > Van
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>
> --
> Tsjerk A. Wassenaar, Ph.D.
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