Hello,
When perform MD simulation , I encounter the following problem.
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 the C-terminal residue (PHE) in its neutral acid state and N-terminal ionized. Is this OK for my simulation? Shonld I modify some parameters for PHE?
Thank you very much for your help.
I'm looking forward to your reply.
sincerely
Nancy
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Received on Sat Jan 23 2010 - 02:30:03 PST
