[gmx-users] N and C terminal in proteins

[Mark Abraham]

leila karami wrote:
> Hi
>  
> in md simulation of protein, when N-terminal and C-terminal should be 
> NH2 and COOH and when NH3+ and COO- respectively?

When one or other seems to make biochemical sense in the context of the 
system being modelled. At neutral pH, peptides tend to be zwitterionic.

Mark