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 -- ================================================== Justin A. Lemkul, Ph.D. Assistant Professor Virginia Tech Department of Biochemistry 303 Engel Hall 340 West Campus Dr. Blacksburg, VA 24061 jalem...@vt.edu | (540) 231-3129 http://www.biochem.vt.edu/people/faculty/JustinLemkul.html ================================================== -- 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-requ...@gromacs.org.
