[gmx-users] Residue-Residue interaction

Sekar Ramachandran sram18 at yahoo.com
Tue Feb 28 03:35:48 CET 2006

I have run an Md simulation of the Wild-type and the
mutant forms of a protein. I would like to analyze the
simulations for any structural changes that might have
occured upon mutation. I have carried out the usual
rmsd and rmsf analysis and observe changes. I want to
know whether there is any to look at changes in side
chain interaction during the simulation.
Thanks a lot

Sekar Ramachandran
Research Associate
316 Baker Laboratories
DEpartment of Chemistry and Chemical Biology
Cornell University
Ithaca 14853

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