Hello
This is the first time I write to you all.
I encounter a problem when perform MD simulation using AMBER.
You know, in general , MD simulation is carried out with C-terminal and
N-terminal ionized. But , now , I want to do a system with C-terminal
neutral , N-terminal ionized.
I mean ,take PHE residue for example , it's neutral acid state will be
used as C-terminal in my simulation. Is this OK? Or I have to change
parameters for PHE to make it suit my
Simulation?
Thank you very much!
I'm looking forward to your reply!
Sincerely
Nancy
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Received on Tue Feb 23 2010 - 03:00:03 PST
