cap water

From: eric hu <>
Date: Wed 5 Jun 2002 17:14:10 -0700 (PDT)

Hi, I tried to add cap water around the bound ligand
in a protein by command in xleap:
solvatecap test WATBOX216 { 3 3 5} 15
when I use edit test to open the window, I can only
see water molecules (about 240) around protein in the
outside. There are no water molecules inside pocket
around the ligand. Is there another way to get around
this? Thanks!


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Received on Wed Jun 05 2002 - 17:14:10 PDT
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