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

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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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