Re: force-field for ATP

From: Roman Petrenko (rpetrenko_at_gmail.com)
Date: Tue Apr 28 2009 - 19:20:57 CDT

Improving the quality of the previous question:

To model ATP/ADP one has to download the following file:
"toppar_all27_na_nad_ppi.str"

Does anyone have a success story of modeling ATP-driven conformational
changes in proteins?

On Tue, Apr 28, 2009 at 7:55 PM, Roman Petrenko <rpetrenko_at_gmail.com> wrote:
> Dear all,
> is it possible to simulate ATP in namd. I mean, is there a force-field
> parameterized for ATP simulations?
>
> --
> Roman Petrenko
> Physics Department
> University of Cincinnati

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