[gmx-users] Partial Charge of 1.11 ???

[nahren manuel]

Dear Gromacs Users,
 
 
I calculated Partial Charges for my Ligand which is Positively Charged. When I Do a 3-21G* partial charge assignment based , I get partial charge value of 1.1147 on one of the Carbon atoms. I am little confused about it. can partial charges be greater than 1.??? 
 
Kindly advice
 
regards,
nahren
 
 


      
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