Dear All. Is there any tool (or set of tools) in GROMACS which allows me to calculate #H2O vs time inside a pocket or in between two fragment of a protein? Any help and/or hint will be fully appreciated. Marcelo
-- MSc. Marcelo F. Masman Department of Molecular Neurobiology, Faculty of Mathematics and Natural Sciences, University of Groningen. Kerklaan 30 9751 NN Haren, Groningen The Netherlands Tel. +31 50 363 2299 Fax. +31 50 363 2331 e-mail: [EMAIL PROTECTED] e-mail: [EMAIL PROTECTED] ----------------------------o---------------------------- Universidad Nacional de San Luis Facultad de Química, Bioquímica y Farmacia Departamento de Química Área de Química General e Inorgánica Cátedra de Química General TEL: +54-02652-424689 Interno: 158 Chacabuco 917. San Luis -(5700)- Argentina. e-mail: [EMAIL PROTECTED] ----------------------------o----------------------------
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