quantrum75 wrote:
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.
trjorder
Any inputs would be highly appreciated.
Sincerely
Regards
Rama
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________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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