AMBER Archive (2002)

Subject: cap water

From: eric hu (erichu_linux_at_yahoo.com)
Date: Wed Jun 05 2002 - 19:14:10 CDT

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!

Eric

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