[AMBER] umbrella sampling

From: Elisa Frezza <elisa.frezza.gmail.com>
Date: Mon, 15 Oct 2012 09:32:26 +0200

Dear All,

I would like to do umbrella sampling and to use as restraint angle the
angle between two duplex of DNA.
How can I do this? Can I define 4 center of mass and make the restraint
using them?

Thank you in advance


Elisa Frezza
Ph.D. Student in Materials Science and Engineering
Dipartimento di Scienze Chimiche
UniversitÓ di Padova
via Marzolo, 1
35131 Padova - Italy
Phone: +39 049 827 5149
Skype: elisa.frezza
Emai: elisa.frezza.gmail.com
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Received on Mon Oct 15 2012 - 01:00:04 PDT
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