[gmx-users] Extracting a sub-trajectory

[quantrum75]

Hi Group,
I had a question regarding the extraction of the trajectory of a specific subset of atoms.

In a simulation of water molecules surrounding ions, If I wanted to analyse properties of a subset of water molecules which are WITHIN a specified DISTANCE surrounding the ion, how do I go about it?

I think the question I ask may be restated as the extraction of the trajectory of water molecules which are within a specified distance from the ion.

Any inputs would be highly appreciated.
Sincerely
Regards
Rama
       
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