On 10/5/19 11:59 AM, Quin K wrote:
Thank you. I got following when I analysed Ligand RMSD protein backbone as east square fit. Graph <https://photos.app.goo.gl/JZJaLt1BxJi1qgwV7> Can you please comment why there's high fluctuation after like 23 ns? What could this mean?
Watch the trajectory and see what is going on. Make sure you've properly re-imaged to account for PBC effects.
-Justin -- ================================================== Justin A. Lemkul, Ph.D. Assistant Professor Office: 301 Fralin Hall Lab: 303 Engel Hall Virginia Tech Department of Biochemistry 340 West Campus Dr. Blacksburg, VA 24061 jalem...@vt.edu | (540) 231-3129 http://www.thelemkullab.com ================================================== -- 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.
