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

OZGE ENGIN OZENGIN at KU.EDU.TR
Tue Sep 4 09:48:21 CEST 2007


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?

thanks
Oz. 




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