On Thu, Sep 10, 2009, Workalemahu Berhanu wrote:
> Is it possible to do periodic boundary condition using implicit
> solvent simulation with amber?
No.
> I also would like to learn how to do
> restrain on some inter atomic distance say the central atom of the ligand
> and the reside of the peptide which is close to the ligand.
Treat this as an "NMR" restraint.
...good luck...dac
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Received on Mon Sep 14 2009 - 13:41:11 PDT
