pair_hbond_dreiding.tex
eee2e80e72dflammm-master

pair_hbond_dreiding.tex
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			\documentstyle[12pt]{article}

			\begin{document}
			\begin{eqnarray*}
			E & = & \left[LJ(r) \| Morse(r) \right] \qquad \qquad \qquad r < r_{\rm in} \\
			& = & S(r) * \left[LJ(r) \| Morse(r) \right] \qquad \qquad r_{\rm in} < r < r_{\rm out} \\
			& = & 0 \qquad \qquad \qquad \qquad \qquad \qquad \qquad r > r_{\rm out} \\
			LJ(r) & = & AR^{-12}-BR^{-10}cos^n\theta=
			\epsilon\left\lbrace 5\left[ \frac{\sigma}{r}\right]^{12}-
			6\left[ \frac{\sigma}{r}\right]^{10} \right\rbrace cos^n\theta\\
			Morse(r) & = & D_0\left\lbrace \chi^2 - 2\chi\right\rbrace cos^n\theta=
			D_{0}\left\lbrace e^{- 2 \alpha (r - r_0)} - 2 e^{- \alpha (r - r_0)}
			\right\rbrace cos^n\theta \\
			S(r) & = & \frac{ \left[r_{\rm out}^2 - r^2\right]^2
			\left[r_{\rm out}^2 + 2r^2 - 3{r_{\rm in}^2}\right]}
			{ \left[r_{\rm out}^2 - {r_{\rm in}}^2\right]^3 }
			\end{eqnarray*}
			\end{document}