Hi Florent,
Could you mind to let me know why it is not suitable for PMF?
Best regards,
Annie
> From: florent.barbault.univ-paris-diderot.fr
> To: amber.ambermd.org
> Date: Thu, 7 Apr 2011 19:17:08 +0200
> Subject: Re: [AMBER] How to apply restraint based on a reference structure?
>
> Hi,
>
> Targeted Molecular Dynamics can do this. However, I don't think it is
> suitable for a PMF...
>
> Regards
> Florent
>
>
> On Fri, 8 Apr 2011 01:12:13 +0800
> Catein Catherine <askamber23.hotmail.com> wrote:
> >
> > Dear Sir/Madam,
> >
> > How to apply restraint based on a reference structure? but not a
> >distance nor angle in umbrella sampling? Can it be used for PMF
> >calculations?
> >
> > Best regards,
> >
> > Catherine
> >
> >
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> -------------------------------------------------
> Dr Florent Barbault
> Maitre de conferences / Assistant professor
>
> Universite Paris Diderot
> Laboratoire ITODYS
> 15 rue Jean de Baïf, bâtiment Lavoisier
> 75013 Paris FRANCE
> http://florentbarbault.wordpress.com/
> tel : (33) 01-57-27-88-50
> e-mail : florent.barbault.univ-paris-diderot.fr
> -------------------------------------------------
>
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Received on Thu Apr 07 2011 - 11:00:02 PDT
