[gmx-users] CP atom type

[Rongliang Wu]

Hello gmx-users,

	the decane included has no charge for each atom, is it reasonable? what are the cp3 and cp2 type carbons? what's the difference between CP3 and CH3? is it for the CP type that lead to the zero charge for each atom?

    another error is the BEN in ffgmx.rtp, the charge group division is wrong.

    by the way, is the ffgmx forcefield recognized by magazines? which gromos96 force field is best for long chain simulations? 

 

Thanks!

Regards!
                    
Sincerely,

Rongliang Wu
State Key Laboratory
of Polymer Physics and Chemistry
Center of Molecular Science
Institute of Chemistry
Chinese Academy of Sciences
 				

　　　　　　　　　　wurl04 at iccas.ac.cn
　　　　　　　　　　2006-02-10