Greetings,
Is it possible to place a water molecule at specified coordinates using
tleap (before solvate command)? Can I specify the coordinates of the water
oxygen only and let tleap add the hydrogens?
thanks
Thomas
--
======================================================================
Thomas Evangelidis
Research Specialist
CEITEC - Central European Institute of Technology
Masaryk University
Kamenice 5/A35/1S081,
62500 Brno, Czech Republic
email: tevang.pharm.uoa.gr
tevang3.gmail.com
website: https://sites.google.com/site/thomasevangelidishomepage/
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Received on Mon Apr 03 2017 - 08:30:02 PDT