An atom is named in the GMAX section. Are you saying it is
not in MCPG?
In any case, the liklihood is that it is in contact with one
of the atoms in MCPG. You should figure out what that atom is
and determine its type and charge. How did you derive your
atom types and charges?
Bill
> The atom is not named as GMAX. MCPG is a kind of anolog of Glutamate with
> charge -1.
>
> Thanks
>
> Jason
> On Wed, Aug 4, 2010 at 3:10 PM, Bill Ross <ross.cgl.ucsf.edu> wrote:
>
> > > I used tleap to construct MCPG
> >
> > I deleted your first mail.. was the atom named as GMAX in mdout
> > in that residue? What type is it? What charge? This may give a clue.
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Received on Wed Aug 04 2010 - 13:30:03 PDT
