[gmx-users] interaction parameter, polyolefin solution, ternary system

[Moeed]

Hello,

My research is concerned with computational thermodynamics of compressible
polyolefin solution (polyethylene in n-Hexane as solvent). I am interested
in calculation of interaction parameter of ternary system of
polyethylene/n-Hexane/
ethylene. Ethylene is unreacted monomer in the solution. I wanted to know if
GROMACS can be used to build up the ternary system and if the interaction
parameters for this ternary system can be calculated.

Many thanks,
Moeed
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