Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 



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


[ Previous ] [ Next ] [ Index ]           Sat Aug 4 '12 11:33pm
[ Reply ] [ Edit ] [ Delete ]           This message read 932 times