[gmx-users] SAS of ligands

[Marzinek, Jan]

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!



Jan
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20110705/97c3ca44/attachment.html>