AMBER Archive (2002)

Subject: Re: Targeted MD

From: Carlos Simmerling (carlos.simmerling_at_sunysb.edu)
Date: Mon Oct 28 2002 - 17:09:19 CST

as far as I know nobody has published
anything using AMBER. we have an
upcoming article in J. Comput. Chem in
January, but it doesn't really explot targeted
MD for specific changes, just to generate
alternate conformations. you should look
at how this type of function has been used
in other programs, since amber hasn't had
the option for long.
carlos

----- Original Message -----
From: "Giulio Rastelli" <rastelli.giulio_at_unimo.it>
To: <amber_at_heimdal.compchem.ucsf.edu>
Sent: Monday, October 28, 2002 4:44 PM
Subject: Targeted MD

> Dear all,
> is anybody aware of "good" MD references were conformational changes
> were expored
> using the Targeted MD option of AMBER?
> Thank you very much
> Giulio
> --
>
> Giulio Rastelli
> Dipartimento di Scienze Farmaceutiche
> Universita di Modena e Reggio Emilia
> Via Campi 183
> 41100 Modena - ITALY
> -------------------------------------
> tel 0039-059-2055145
> fax 0039-059-2055131
> -------------------------------------
>
>