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Re: Increase the number of spheres in the PCM

Alex Granovsky
gran@classic.chem.msu.su


Hi,

It seems you are using GAMESS (US). Firefly does not support
EFP+PCM combined solvent models, nor will it be in the future.

Regards,
Alex Granovsky


On Sat Aug 4 '12 11:33pm, Alexandr wrote
----------------------------------------
>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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