[gmx-users] the neighbour getting

[alexander yakovenko]

Hi All,

Does you know how to get the neighbour molecules from the trajectory file?
I need to make the .ndx file with the group of water molecules, which located no more than 5A from residue 1 of my protein.
Thank you,

Alexander Yakovenko
Institute of Molecular Biology & Genetic of NAS of Ukraine
03143
acad.Zabolotnogo str. 150
Kiev
Ukraine
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E-mail: yakovenko_a at ukr.net