[gmx-users] stable water positions

[Alexander]

Hi All!

How can I found the positions on protein surface, which the most of time occupied by the same water molecules? I am looking for water clusters around protein and hope that the most stable water positions near it surface will correspond to the centers of water clusters in hydratation shell.

Thank you.

Best regards,

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