[gmx-users] calculate the ∆SASA for free energy calculation

Mahboobeh Eslami mahboobeh.eslami at yahoo.com
Mon Aug 25 11:38:46 CEST 2014

i want to calculate free energy by LIE method.
I need to calculate the∆SASA. i need to calculate SASA in protein-ligand complex simulation  and SASA in ligand -water simulation.
Please guide me how I calculate it.
 I sincerely thank you.

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