Calculation of the solvent contribution to the potential of mean force between water molecules in fixed relative orientation in liquid water

Mihaly Mezei*, Arieh Ben-Naim

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

40 Scopus citations

Abstract

The contribution of the solvent molecules to the potentials of mean force between two water molecules in selected fixed relative orientations was calculated as a function of the interoxygen distance using the probability ratio method with adaptive umbrella sampling in Monte Carlo computer simulations.

Original languageEnglish
Pages (from-to)1359-1361
Number of pages3
JournalThe Journal of Chemical Physics
Volume92
Issue number2
DOIs
StatePublished - 1990

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