MDTRA: A molecular dynamics trajectory analyzer with a graphical user interface
نویسندگان
چکیده
منابع مشابه
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Molecular dynamics (MD) simulations allow the exploration of the phase space of biopolymers through the integration of equations of motion of their constituent atoms. The analysis of MD trajectories often relies on the choice of collective variables (CVs) along which the dynamics of the system is projected. We developed a graphical user interface (GUI) for facilitating the interactive choice of...
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ژورنال
عنوان ژورنال: Journal of Computational Chemistry
سال: 2012
ISSN: 0192-8651
DOI: 10.1002/jcc.23135