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compute_fep_fep.tex
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Fri, Jul 12, 17:26
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rLAMMPS lammps
compute_fep_fep.tex
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\documentstyle[12pt]{article}
\begin{document}
\[ \Delta_0^1 A = \sum_{i=0}^{n-1} \Delta_{\lambda_i}^{\lambda_{i+1}} A =
- kT \sum_{i=0}^{n-1} \ln \left< \exp \left( - \frac{U(\lambda_{i+1}) -
U(\lambda_i)}{kT} \right) \right>_{\lambda_i} \]
\end{document}
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