[gmx-users] Re: charge groups

akn akafali84 at hotmail.com
Tue Nov 6 12:56:46 CET 2012


Dear Justin,
  
Thank you for the answer.
 
I'm using OPLS force field but I calculated the partial charges of the atoms
from the HF geometry optimization.
 
Do you have any idea if I should arrange the charge groups in this case or
not?
 
Regards,

Akn.



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