- David van der Spoel Tuesday, 23 April 2019
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Virtual Chemistry
Monday, 28 November 2011
We have launched a new webserver at where one can download validated  GROMACS toplogy and coordinate files for 145 molecular liquids. Files are available for the GAFF and OPLS/AA force fields. We also provide experimental data (fully rerefenced) of eight physical properties. The work is described in two papers, in J. Chem. Theor. Comput. and Bioinformatics . Update: The JCTC paper is now part of the free sample issue that can be found here .
(c) 2006 David van der Spoel