Dear Gromacs Users, I get a bunch of communicates when I run gmx check -f npt-md2.xtc -s1 npt-md2.tpr >& gmx-check2.out
saying that I get different bond lengths than they should be. Can that be caused by only 0.001 nm precision of my results? Also I am not exactly sure if I understand correctly what I am checking here. "If both a trajectory and a .tpr <http://manual.gromacs.org/online/tpr.html> file are given (with -s1) the program will check whether the bond lengths defined in the tpr <http://manual.gromacs.org/online/tpr.html> file are indeed correct in the trajectory." If so, then what does it mean "correct" in this sentence? It is pretty obvious that bond lengths vary during simulation unless I constrain them. Best wishes, Dawid Grabarek -- 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.
