[gmx-users] Charge of CH2r atoms in Gromos 53A6 force-field

[Mark Abraham]

OZGE ENGIN wrote:
> Hi all,
> 
> I have read the manual of Gromos force field with parameter set 53A6. I am trying to get the topology file of cyclohexane molecule. 
> 
> In a paper which defined the parameters of Gromos 53A5 and 53A6 force-fields, it is said that atoms that are not listed have a zero charge, and the charge of CH2r atoms have not been given in that list. So,to be sure I want to ask again. The charge of CH2r atoms (CH2 groups in a ring) have a zero charge in Gromos 53A6 force-field?

What other charge would you like to use in a united-atom model on the 
six identical CH2R atoms to achieve a neutral cyclohexane molecule? :-)

Mark