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

[Joe Jordan]

There are a number of papers where you can find RMSD plots for different
protein-protein complex MD simulations. Please look into the literature to
find out how others have done this.

On Wed, Mar 14, 2018 at 5:19 PM, SHYANTANI MAITI <shyantani.maiti at gmail.com>
wrote:

> 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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-- 
Joe Jordan