[gmx-users] Vector calculation of COM of a molecule

Him Shweta shwetahim at gmail.com
Fri Jul 3 16:55:20 CEST 2015

Hi all,

I am a new user to gromacs and I want to calculate vector (Z-axis) position
for centre of mass of a ligand in lipid simulation throughout the
simulation of 50 ns. Is there any other way to calculate the position of
the ligand (Z- position) through out the simulation.
Any help will be highly appreciated.
Thank you.

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