[gmx-users] g_sas => micelle ?

[Chih-Ying Lin]

HI
how to calculate SASA of micelle using g_sas?
i put -n -micelle-index.ndx , where micelle-index.ndx includes all of the
atom numbers of micelle.


if micelle is not compact enough but there are no water molecules inside the
micelle, will g_sas calculate the vacancy part inside the micelle?

Or, if there exists water molecules inside the micelle, will g_sas calculate
the water/micelle interface part inside the micelle?


Thank you
Lin
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