AMBER Archive (2009)

Subject: [AMBER] What is dual topology

From: Ashish Runthala (ashish.runthala_at_gmail.com)
Date: Wed Sep 02 2009 - 10:25:19 CDT

Hello AMBER users,

Calculations that incorporate soft-core potentials and creation of
dummy atoms use either “single” or “dual” topology models in new free
energy tools.
Somebody please explain me, what does a dual topology means. 

-- 
Ashish Runthala,
Faculty Division III,
Assistant Lecturer, Biological Sciences,
Birla Institute of Technology and Science,
Pilani, Rajasthan- 333031
INDIA

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