[gmx-users] Number of water molecules

Marcelo Fabricio Masman mmasman at gmail.com
Wed Jun 4 14:52:52 CEST 2008

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.

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: mmasman at gmail.com
e-mail: M.F.Masman at rug.nl

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: mfmasman at unsl.edu.ar
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