[gmx-users] Water tracking along simulation

Justin Lemkul jalemkul at vt.edu
Mon Oct 16 14:05:22 CEST 2017

On 10/16/17 7:16 AM, Yasser Almeida Hernández wrote:
> Hello everyone,
> It is any tool to track water molecules (or a particle in general) 
> along a simulation trajectory, so the final result is the 
> pathway/streamline of selected water molecules? It would something 
> similar to what was done in this paper 
> http://pubs.acs.org/doi/abs/10.1021/bi901900s.

Contact the corresponding author and see how they did what they did.



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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