[gmx-users] Simple way to get last structure from trajectory.

Sergio Perez sperezconesa at gmail.com
Tue Feb 26 12:00:41 CET 2019

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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