[gmx-users] g_sorient. Only for water?
fileti at ufabc.edu.br
Tue Jan 30 17:43:23 CET 2007
Dear GMX users
The tool g_sorient is applicable only when the solvent is the water?
I have attemped to apply it for the case of solvation in ethanol and
I am not obtaining an appropriate vector for the calculation of the angle.
In fact, it woul be very nice if I can make the C=C bond of ethanol
like a vector.
Eudes Eterno Fileti
Centro de Ciência Naturais e Humanas
Universidade Federal do ABC
Rua Santa Adélia, 166
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