Hello everybody,

I have nearly 100 different vectors to analyse using g_rotacf. I was wondering if there was anyway to do this in GROMACS simultaneously since g_rotacf does not have have the -ng option like in g_traj or others.

I would imagine one could use a awk script to run g_rotacf to run a hundred times, but I am not sure how to go about it. If anyone can provide me with pointers on that it would be great

Thanks in advance
Rama


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