[gmx-users] umbrella sampling for determining interfacial energy
xiaoainisa at gmail.com
Thu Aug 11 20:58:31 CEST 2016
Hi, gmx users,
I am doing research on liquid-solid interface. I see that the umbrella
sampling can be used to calculate the binding energy, so I am wondering if
the umbrella sampling can be used to calculate the interfacial free energy
between different liquids and solids by pulling the liquid towards the
solid surface. If not, is there any other way to do this in Gromacs?
Thank you very much.
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