[gmx-users] The maxwarn fatal errors

[변진영]

Dear everyone, Happy New year!
I have gone through the Justin Lemku tutorial for Umbrella Sampling. During tutorial, When I treid to input the command line:
  gmx grompp -f md_umbrella.mdp -c npt0.gro -t npt0.cpt -p topol.top -r npt0.gro -n index.ndx -o umbrella0.tpr

I have met two warnings and they occured fatal error.:
  Fatal error:
  Too many warnings (2).
   If you are sure all warnings are harmless, use the -maxwarn option.

And the waring is:
 WARNING 1 [file topol.top, line 56]:
  The GROMOS force fields have been parametrized with a physically
  incorrect multiple-time-stepping scheme for a twin-range cut-off. When
  used with a single-range cut-off (or a correct Trotter
  multiple-time-stepping scheme), physical properties, such as the density,
  might differ from the intended values. Since there are researchers
  actively working on validating GROMOS with modern integrators we have not
  yet removed the GROMOS force fields, but you should be aware of these
  issues and check if molecules in your system are affected before
  proceeding. Further information is available at
  https://redmine.gromacs.org/issues/2884 , and a longer explanation of our
  decision to remove physically incorrect algorithms can be found at
  https://doi.org/10.26434/chemrxiv.11474583.v1 .


WARNING 2 [file md_umbrella.mdp]:
  With Nose-Hoover T-coupling and Parrinello-Rahman p-coupling, tau-p (1)
  should be at least twice as large as tau-t (1) to avoid resonances

I solved this problem with using -maxwarn option but I am wondering whether thses warning is passed over.
What do you think what I happend? dears. Any idea on what caused this problem?