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\chapter{\label{chapt:methodology}LANGEVIN DYNAMICS FOR RIGID BODIES OF ARBITRARY SHAPE} |
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\chapter{\label{chapt:langevin}LANGEVIN DYNAMICS FOR RIGID BODIES OF ARBITRARY SHAPE} |
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\section{Introduction} |
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Fig.~\ref{langevin:oneBanana} shows a snapshot of the simulation |
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made of 256 pentane molecules and one banana shaped molecule at |
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273~K. It has an equivalent implicit solvent model containing only |
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273~K. It has an equivalent implicit solvent system containing only |
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one banana shaped molecule with viscosity of 0.289 center poise. To |
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calculate the hydrodynamic properties of the banana shaped molecule, |
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we create a rough shell model (see Fig.~\ref{langevin:roughShell}), |
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0.2057&4.846e-14&1.5036e-14&-3.904e-13&3.219&10.7373\\ |
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\end{array}} \right). |
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\] |
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\begin{figure} |
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\centering |
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\includegraphics[width=\linewidth]{one_banana.eps} |
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\caption[]{.} \label{langevin:banana} |
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\end{figure} |
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\begin{figure} |
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\centering |
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model for banana shaped molecule.} \label{langevin:roughShell} |
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\end{figure} |
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\begin{figure} |
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\centering |
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\includegraphics[width=\linewidth]{oneBanana.eps} |
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\caption[Snapshot from Simulation of One Banana Shaped Molecules and |
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256 Pentane Molecules]{Snapshot from simulation of one Banana shaped |
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molecules and 256 pentane molecules.} \label{langevin:oneBanana} |
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\end{figure} |
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%\begin{figure} |
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%\centering |
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%\includegraphics[width=\linewidth]{oneBanana.eps} |
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%\caption[Snapshot from Simulation of One Banana Shaped Molecules and |
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%256 Pentane Molecules]{Snapshot from simulation of one Banana shaped |
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%molecules and 256 pentane molecules.} \label{langevin:oneBanana} |
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%\end{figure} |
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\subsubsection{Simulations Contain Two Banana Shaped Molecules} |
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