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On an optimal solution for maximizing the probability of retention in PPS sampling

โœ Scribed by Tommy Wright; How Tsao

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
750 KB
Volume
67
Category
Article
ISSN
0024-3795

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Implementation of an adaptive umbrella s
Implementation of an adaptive umbrella sampling method for the calculation of multidimensional potential of mean force of chemical reactions in solution
โœ Ramkumar Rajamani; Kevin J. Naidoo; Jiali Gao ๐Ÿ“‚ Article ๐Ÿ“… 2003 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 120 KB

## Abstract We describe the implementation of an adaptive umbrella sampling method, making use of the weighted histogram analysis method, for computing multidimensional potential of mean force for chemical reaction in solution. The approach is illustrated by investigating the effect of aqueous solu