pair_gromacs.tex
07554c8efe48efficient_neuronet

pair_gromacs.tex
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			\begin{eqnarray*}
			E_{LJ} & = & 4 \epsilon \left[ \left(\frac{\sigma}{r}\right)^{12} -
			\left(\frac{\sigma}{r}\right)^6 \right] + S_{LJ}(r)
			\qquad r < r_c \\
			E_C & = & \frac{C q_i q_j}{\epsilon r} + S_C(r) \qquad r < r_c \\
			S(r) & = & C \qquad r < r_1 \\
			S(r) & = & \frac{A}{3} (r - r_1)^3 + \frac{B}{4} (r - r_1)^4 + C \qquad r_1 < r < r_c \\
			A & = & (-3 E'(r_c) + (r_c - r_1) E''(r_c))/(r_c - r_1)^2 \\
			B & = & (2 E'(r_c) - (r_c - r_1) E''(r_c))/(r_c - r_1)^3 \\
			C & = & -E(r_c) + \frac{1}{2} (r_c - r_1) E'(r_c) - \frac{1}{12} (r_c - r_1)^2 E''(r_c)) \\
			\end{eqnarray*}

			\end{document}