GAPW vs GPW QMMM

[Isaiah Sumner]

Hi All,
    I have some questions regarding GAPW and GPW QMMM calculations on a
methyl-triphosphate (MTP) solvated in a small cluster of waters. The MTP is
QM and the waters are MM. My calculations have the following properties with
respect to the QM/MM coupling:

If I use GAPW with pseudopotentials, the electrostatic coupling between the
QM and MM region is too strong. This results in the MM waters being overly
attracted to the QM region.

If I use GAPW and an all electron basis set on the phopshorous atoms
(psuedopotentials everywhere else), the coupling become physically
reasonable.

If I use GPW with pseudopotentials, the coupling is also physically
reasonable.

It seems that there is some parameter in the GAPW calculation that I should
set that will make the GAPW/pseudopotential calculation reasonable. Any
thoughts? I would prefer to use GAPW because the GPW calculation requires a
high PW cutoff value.

I've attached the necessary files.
             Thanks,
                            Isaiah
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