Enhanced sampling of particular degrees of freedom in molecular systems based on adiabatic decoupling and temperature or force scaling

Journal of Chemical Physics

Volumn 135, Issue 10, 2011, Pages

  Kunz, Anna Pitschna E ^a   Liu, Haiyan ^b   Van Gunsteren, Wilfred F ^a  

^a ETH ZURICH   (Switzerland)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

A-DENSITY; AVERAGE POTENTIAL; MOLECULAR SYSTEMS; NUMBER OF DEGREES OF FREEDOM; PARAMETER VALUES; SCALING FACTORS; SIMPLE POINT CHARGE; SIMULATION STUDIES; TEST SYSTEMS; WATER MOLECULE;

MECHANICS;

MOLECULES;

EID: 80052951051     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3629450     Document Type: Article

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