[gmx-users] Protein-protein complex regarding

RAHUL SURESH drrahulsuresh at gmail.com
Mon Apr 30 22:48:05 CEST 2018

Dear all

I am doing MD simulation of a Protein protein complex docked using Zdock
server in charmm36 ff. Is it mandatory to treat a protein like a ligand as
in protein-ligand tutorial and apply position constraint? Or is it fine if
I simply simulate the complex in solvent without adding any extra terms to
the top file?

Thank you.

*Rahul Suresh*
*Research Scholar*
*Bharathiar University*

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