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

[Justin Lemkul]

On 3/14/18 12:19 PM, SHYANTANI MAITI 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?
>
Did you try the suggestion I already provided?

https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2018-March/119145.html

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

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