On Mon, Apr 22, 2013, Rilei Yu wrote:
>
> I am using amberĀ to simulate the interactions between an amino acid
> (GLY or SER) and the protein. In pH=7, this amino acid should be
> neautral, with a positively charged N-termini and a negatively charged
> C-termini. When I load my complex to leap, it comlains. And I cannot
> obtain the prmtop and inpcrd files.
We don't have any standard libraries for single zwitterionic amino acids.
So (as you noted) you have to make your own.
...dac
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Received on Mon Apr 22 2013 - 08:30:03 PDT
