Thank you very much for your answer.
Elisa
Il giorno 20/apr/2011, alle ore 10.08, steinbrt.rci.rutgers.edu ha scritto:
> Hi,
>
> this sounds like you should look into umbrella sampling and the WHAM
> tools. There are many good papers about that approach available, but I
> believe no Amber tutorial yet. Adapting the concept to actual simulations,
> e.g. restrained center of mass distances is straightforward.
>
> Kind Regards,
>
> Dr. Thomas Steinbrecher
> formerly at the
> BioMaps Institute
> Rutgers University
> 610 Taylor Rd.
> Piscataway, NJ 08854
>
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
-----------------------------------------------------------------------------
Elisa Frezza
Ph.D. Student in Material Science and Engineering
Dipartimento di Scienze Chimiche
Università di Padova
via Marzolo, 1
35131 Padova - Italy
Phone: +39 049 827 5149
Email : elisa.frezza.gmail.com
elisa.frezza.studenti.unipd.it
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Received on Thu Apr 21 2011 - 06:30:03 PDT
