I using antechamber to deal with a ligand molecular
there is a calcium ion in this molecular
i want to using Gaussian to caculate it,useing the key word pop=MK
but it failed because there is no radius for atom 34 atomic number 20
i want to know how to deal with such kind of metal ion,
can i change it into small atoms,such as Mg?
or i should try some other programs?
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Received on Wed Jan 04 2006 - 18:17:03 PST
