Hi all:
I am interested in looking "water density" around the ligand in in my
system. I used fallowing inputs (167 and 168 are the residue name of the
ligand),
------------------------------------------------------------------
trajin producrion.traj
center :500-501
image center familiar
grid wat.xplor 50 0.5 50 0.5 50 0.5 :WAT
--------------------------------------------------------------------
What I can see in the output is not clear to me. The Either the grid was
placed in the centre of the protein molecule (when i use centre origin) or
far away from ligand, somewhere in water. Can any of you clear me out, where
am I doing wrong ?
/mish
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Received on Wed Mar 09 2011 - 05:00:05 PST
