Hello Marek and Ross
I am wondering if Amber can simulate the infinite *mobile* surface.
The surface is NOT fixed with position or frozen, but is actually
bonded with PBC images
though PBC box boundaries.
PBC
image | simulat. cell | PBC image
For example: for the suface -A-B-C-: in PBC
----A----B----C-----A----B----C------A----B----C
Does Amber have this kind of functionalities?
Thanks,
Tom
On 8/4/10, Marek Maly <marek.maly.ujep.cz> wrote:
>
> OK,
>
> Thanks again !
>
> Best,
>
> Marek
>
>
> Dne Wed, 04 Aug 2010 01:08:20 +0200 Bill Ross <ross.cgl.ucsf.edu>
> napsal/-a:
>
> > PS -
> >
> >> Also the target pressure was not achieved (30 atm. instead desired 20)
> >
> > I hadn't noticed this; it probably explains why the box expanded
> > instead of the shrinkage we normally see after water placement.
> >
> > You might want to run at 1 atm to see what happens.
> >
> > Bill
> >
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> >
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>
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Received on Tue Aug 03 2010 - 23:30:03 PDT
