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

Joe Jordan e.jjordan12 at gmail.com
Wed Mar 14 17:27:18 CET 2018

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>

> 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*
> --
> Gromacs Users mailing list
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.

Joe Jordan

More information about the gromacs.org_gmx-users mailing list