I am going to generate low energy conformation for docking.....
Does anybody knows is there any quick tool in Amber to do so?
THX a lot
On 06/26/2016 08:45 PM, Carlos Simmerling wrote:
> 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?
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Received on Mon Jun 27 2016 - 01:30:02 PDT
