Nucleic acid force fields have been shown to reproduce structural properties of DNA and RNA very well, but comparative studies with respect to thermodynamic properties are rare. As a test for thermodynamic properties, we have computed hydration free energies and chloroform-to-water partition coefficients of nucleobases using the AMBER-99, AMBER-gaff, CHARMM-27, GROMOS-45a4/53a6 and OPLS-AA forc...

A computer program, GeoSteamNet, for the numerical simulation of steam transport in geothermal pipeline networks is written in Visual Studio .NET. The program considers (a) internally consistent thermodynamic properties of water, and (b) a numerical algorithm based on the principles of conservation of mass, linear momentum (Newton’s second law), and energy (the first and second laws of thermody...