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A iterative method of bound state energy calculation

✍ Scribed by J. Horáček


Book ID
112567454
Publisher
Springer
Year
1975
Tongue
English
Weight
299 KB
Volume
25
Category
Article
ISSN
0011-4626

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We present here a new iterative technique for reliable estimation of multidimensional free energy and potential of mean force (PMF) values by computer simulation. This method is an extension of the weighted histogram analysis method [S. Kumar et al., I. Comp. Chem., 13, 1011, (199211. We have tested