[gmx-users] How can I define the nitrogen atom of the tertiary amine in force field?

Hanming hanming at iccas.ac.cn
Tue Sep 14 16:49:09 CEST 2004

Dear All, 

There are a lot of tertiary amine in my molecule, that is, the nitrogen
atoms which are bonded to three methylene group. How can I define this kind
of nitrogen? Can I use the primary amine,that is," NT  14.00670 ;    
terminal nitrogen (NH2)" to take place this strange type in the force
field?I if all of the parameters such as vdW potential are ok? 

Thanks a lot, 


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