Dear Gromacs users,
I am trying to understand the structure of H2O around one H2S molecule in a
system of H2S-H2O confined in silica pore. Looking at the equilibrated system
of the simulation snapshot, the arrangement of water molecules around each H2S
is non-uniform and as a result, parameters that rely on averages (e.g F4 order
parameter)are not good in this case. I will appreciate your help on how I can
describe this non-uniform structure.
Thank you very much.
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