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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