[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
Rob
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