Re: [AMBER] periodic boundary condition for implicit solvent simulation and SHORT command

From: case <case.biomaps.rutgers.edu>
Date: Fri, 11 Sep 2009 03:04:53 +0100

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
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