Hi Gromacs folks, I am trying to tell if a mutation can cause some part of the protein becoming more flexible. I started with the apo protein. I did two simulations in parallel, with one wild type and one with a silico mutation.
After a 10 ns simulation I was able to tell some region of the protein is more flexible based on the RMS chart. Since side chain flexibility is in the range of 1 ns, I wonder if 10 ns simulation is convincing enough? Thanks, Ming -- 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.
