[gmx-users] preparation_solvation_box

shahid nayeem msnayeem at gmail.com
Tue Jan 18 12:33:52 CET 2011

Dear Gmx User
I want to prepare a solvation box for say 50mM chaps solution. The density
is not known. How should I start calculating the number of chaps molecule
and number of water molecule required for say 6X6X6 size box, which after
equilibriation should give the exact strength of the solution. For Urea and
guanidinium I know the references and mail archive has many suggestion but
how I should proceed with this new solvation box.

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