[gmx-users] Solvent addition

teklebrh at ualberta.ca teklebrh at ualberta.ca
Tue Apr 27 20:20:04 CEST 2010


Dear Gromacs users,

I have a box 10 X 10 X 10 with 20 solute molecules in side it. I want  
to add a solvent of 25% X and 75% Y and so on to see the aggregation  
behavior of my molecules in different ratio of solvents X and Y. Can  
any body help me how to do this. The two solvent is mixed.

e.g
25% X and 75% Y = desired Solvent

Rob




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