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 - 10:30:08 PDT
