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