[gmx-users] Solubility check

Pallavi Banerjee pallavisept at students.iiserpune.ac.in
Thu Oct 15 11:07:56 CEST 2015

Hello Users,

I need to make a force field for a polymer (Polyacrylamide) so as to make
it soluble in water. Suggestions regarding solubility check would be real
helpful. Would the enthalpy of vaporization values of the polymer and water
contribute any to the miscibility check? How is it usually done?

Many thanks!

-Pallavi Banerjee

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