[gmx-users] Sudden increase in RMSD values for 100ns simulation of protein-protein complex

SHYANTANI MAITI shyantani.maiti at gmail.com
Wed Mar 14 17:19:29 CET 2018

Dear all,
I have been simulating a protein-protein complex using gromacs for 100ns.
after the completion of job, I find that the rmsd values have undergone a
sudden increase after 20ns of the simulation. Is my simulation going wrong
somewhere? Can protein-protein complexes be simulated in gromacs?

Best regards,
*Shyantani Maiti*

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