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Increase the number of spheres in the PCM
Alexandr
planfactor@mail.ru
Dear friends,
the performing the procedure EFP + PCM with increasing number of fragments,
I get this message:
PEDRA: TOO MANY SPHERES,-MXSP-MUST BE LARGER.
EXECUTION OF GAMESS TERMINATED-ABNORMALLY-
I tried to increase MXSP, and with it MXTS - all the same message from Pedra ...
What can it be done?
Maybe a new version of FF 8 allows to increase the number of spheres?
Otherwise the procedure EFP + PCM for real molecules becomes problematic ...With regards,
Alexandr
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Sat Aug 4 '12 11:33pm
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