Hello I am working through Gromacs Tutorial 2 (Membrane) and received several warnings upon inputting the below command:
gmx grompp -f minim.mdp -c dppc128.pdb -p topol_dppc.top -o dppc.tpr
12 warnings (12:12 posted below):
WARNING 12 [file ffbonded.itp, line 556]:
Atomtype LC2 was defined previously (e.g. in the forcefield files), and
has now been defined again. This could happen e.g. if you would use a
self-contained molecule .itp file that duplicates or replaces the
contents of the standard force-field files. You should check the contents
of your files and remove such repetition. If you know you should override
the previous definition, then you could choose to suppress this warning
with -maxwarn.
and a 13th warning below:
WARNING 13 [file topol_dppc.top, line 26]:
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 .
May I Maxwarn/Disregards all?
Much Thanks:)
Joel