[AMBER] umbrella sampling amber11

From: Elisa Frezza <elisa.frezza.gmail.com>
Date: Sun, 30 Oct 2011 22:40:50 +0100

Dear All

I would like to ask you if I can use PMEMD to perform umbrella sampling
calculation to obtain PMF.
I read the manual and I saw that only nmropt=2 is not support, so I think
that nmropt=1 is support, isn't it? So I suppose that umbrella sampling can
be performed.
I hope that someone can help me.

Best regards

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
Emai: elisa.frezza.gmail.com
         elisa.frezza.studenti.unipd.it
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Oct 30 2011 - 15:00:02 PDT
Custom Search