[gmx-users] position of water molecules during the simulation time

Nikhil Maroli scinikhil at gmail.com
Wed May 3 08:33:51 CEST 2017

Dear all,

I wanted to calculate the position of the water molecules during the
simulation time. This is for understanding the movements of water molecules
through a channel protein. How I can get this information using gromacs.

I'm looking for something like this in Fig (b)

Nikhil Maroli

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