[gmx-users] Atom type of the carbon atom in S=C- for Gromacs force filed?

Zhiguo Liu zgliu at iris3.simm.ac.cn
Tue May 24 17:31:46 CEST 2005

Dear gmx-users£¬
   Dundee generates atom type of "CB" for the carbon atom of such form  S=C-N. 
However, this carbon atom is not located in any aromatic cycle. I doubt the type should be "C" instead of "CB". 
   Any suggestion is welcome.

Best regard! 				

¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡Zhiguo Liu
¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡¡zgliu at iris3.simm.ac.cn

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