I think it's hard to help without knowing more. Is the ligand alone, or
bound to something? very different problems. If bound, are you sampling
conformations for internal degrees if freedom, or binding pose? Again very
different. Lastly, how many degrees of freedom do you need to sample? Do
you just need alternate conformations, or something about relative
populations?
On Jun 26, 2016 2:33 PM, "Albert" <mailmd2011.gmail.com> wrote:
> Hello:
>
> I've got a ligand and I am just wondering is there any MM (not MD) tool
> in Amber to sample ligand conformation?
>
> Thank you very much.
>
> Albert
>
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Received on Sun Jun 26 2016 - 12:00:03 PDT
