[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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