Hi Tsjerk, I read the sae that you say about the PME and the twin cutoff, but as I have seen that a lot of studies in that people use Gromos with PME and a Vander Vaals cutoff so small as mine, I didn't change it, for mantain the same settongs than in OPLS simulations.
About the structures are very similar, in principle, as I can see in VMD and so on, but for sure I will try your suggestions. Cheers, Melchor S. -- View this message in context: http://gromacs.5086.x6.nabble.com/Problem-calculating-RMSD-with-gromos-tp5009494p5009500.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
