On Mon, Apr 03, 2017, Thomas Evangelidis wrote:
>
> 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?
If you manually add the oxygen atom in the input pdb file, it should get
added. And tleap can add the hydrogens.
....dac
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Received on Mon Apr 03 2017 - 10:00:03 PDT
