[gmx-users] Simple way to get last structure from trajectory.
aditi225 at gmail.com
Tue Feb 26 12:10:52 CET 2019
You have to dump the last frame: for example* -10000 *for a 10000ps/10ns
On Tue, Feb 26, 2019 at 4:31 PM Sergio Perez <sperezconesa at gmail.com> wrote:
> Dear gmx comunity,
> I have tried to get the last structure from a trajectory using:
> gmx_d trjconv -pbc mol -ur compact -s topol.tpr -f traj_comp.part0001.xtc
> -o out.gro -n index.ndx -dump -1
> But I get the first structure. Maybe the -1 syntax that is used in python
> for example does not work here, althought the default value being -1 makes
> it a little confusing.
> I am using gmx 2018.1.
> In addition is there a way to get the last structure without knowing its
> frame number (like I intended to do). Just to make easier automatization.
> Thank you all very much and keep up the good work!
> Sergio Pérez-Conesa
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