Marzinek, Jan wrote:
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?
See the thread from just a few days ago about the same question:
http://lists.gromacs.org/pipermail/gmx-users/2011-July/062707.html
-Justin
Thank you in advance!
Jan
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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