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.
msnayeem
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