No, sorry, not available. This is one of those things that is not considered
worth doing. When I need a vacuum simulation, I run sander; I don't have my
own hacked up version of pmemd with this in it.
Regards - Bob Duke
----- Original Message -----
From: "Sampath Koppole" <sampathkoppole.yahoo.com>
To: <amber.scripps.edu>
Sent: Thursday, June 05, 2008 8:53 AM
Subject: AMBER: Vaccum Simulations in PMEMD !!
> Dear Amber-users,
> Is there a way one can do a standard vacuum MD simulation with or without
> cutoff (Equivalent to setting igb = 6 in Sander) using PMEMD version in
> Amber 9.
>
> If not, has this been implemented in PMEMD version included in Amber 10 ?
>
> Thanks for your time and help.
>
> With best regards,
> Sampath.
>
> --
> *****************************************************************
> Dr. Sampath Koppole,
> Horburgstr. 35
> CH 4057 Basel
> Switzerland.
> Ph: +41-76-422-8100
> *****************************************************************
>
>
>
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Received on Sun Jun 08 2008 - 06:07:35 PDT
