[gmx-users] Mix two solvents

teklebrh at ualberta.ca teklebrh at ualberta.ca
Tue Aug 10 05:35:38 CEST 2010

Dear Gromacs,

I want to combine two separately equilibrated solvents into one mixed  
solvent file. How can I do that? I want to check the mixing effect of  
those solvents and try to check the density and volume change before  
and after mixing those solvents. I have equilibrated and run MD for  
2ns for each solvent and the density I got is pretty the same as of  
the experimental value. But now I want to combine both these files  
into one .gro file so that to see the volume/density change after MD  
and calculate the mixing effect. Can anybody help me on this issue?

Thank you


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