[gmx-users] SAS of ligands

Marzinek, Jan j.marzinek10 at imperial.ac.uk
Tue Jul 5 13:12:02 CEST 2011

Dear Gromacs Users,

My system has 30 ligands - they aggregate and and seperate during the simulation time and stack to two sites of my protein (two clusters). I want to calculate the interface area between ligands and protein so I need to substract the interface between ligands due to the aggregations. Do you know how to do this?

Thank you in advance!

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