The canonical equilibrium of constrained molecular models
نویسندگان
چکیده
منابع مشابه
The canonical equilibrium of constrained molecular models
In order to increase the efficiency of the computer simulation of biological molecules, it is very common to impose holonomic constraints on the fastest degrees of freedom; normally bond lengths, but also possibly bond angles. Since the maximum time step required for the stability of the dynamics is proportional to the shortest period associated with the motions of the system, constraining the ...
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ژورنال
عنوان ژورنال: The European Physical Journal Special Topics
سال: 2011
ISSN: 1951-6355,1951-6401
DOI: 10.1140/epjst/e2011-01517-9