[gmx-users] gmx make_ndx: select last created group without knowing its number

CLARK NICOLAS Joan J.Clark-Nicolas at ed.ac.uk
Sun Jan 22 13:51:12 CET 2017

Dear gmx users,

I want to check how big are the biasing forces of a collective variable compared to the normal MD forces. As my collective variable only takes into account certain atoms of the system, I'd like to use make_ndx to create a group containing these atoms and give a name to that group so that I can use it later in a script

The problem is that I am running this calculation for a lot of systems, some of them with ligands, some of them without, so I would like to use a script to create these groups for all my systems.

As the number of the last created group will not always be the same, I was wondering if there is any option in make_ndx that allows to select the last group on the list so i can give it a suitable name without knowing its group number.


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