Re: AMBER: anisotropic pressure scaling ntp=2

From: David A. Case <case.scripps.edu>
Date: Thu, 12 Jun 2008 08:13:52 -0700

On Thu, Jun 12, 2008, fatima.chami.durham.ac.uk wrote:
>
> I need to learn on how the anisotropic pressure scaling is carried out in
> Amber..is this function the solute structure ...for example if the solute is
> elongated in Y direction ...

The user "how" is to set ntp=2; the relevant code is in runmd.f

...dac

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Received on Sun Jun 15 2008 - 06:07:34 PDT
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