Dear Daniel,
I am really sorry for sending you reply with unnecessary content. It will never happen again, also thank you so much for your patience and prompt responses. You told me that bad clashes common reason is using trajectories after RMS fitting but I have used original trajectory, may be it is due to image center familiar entry. I modified script according to your suggestion and replace the :THA mask in 'closest' command with :THA.N27. I hope this hetero atom in mask entry will only keep the single closest water.
Thank you
Best Regards, Saman Yousuf AliJunior Research Fellow,
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Received on Thu Apr 21 2016 - 14:30:03 PDT
