GROMACS version:
GROMACS modification: Yes/No
Here post your question
WARNING 1 [file topol.top, line 11462]:
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. Check if molecules in your system
are affected by such issues before proceeding. Further information may be
available at https://redmine.gromacs.org/issues/2884.
Removing all charge groups because cutoff-scheme=Verlet
Analysing residue names:
There are: 172 Protein residues
There are: 1 Other residues
There are: 10747 Water residues
There are: 5 Ion residues
Analysing Protein…
Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups…
Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups…
Number of degrees of freedom in T-Coupling group rest is 70032.00
Calculating fourier grid dimensions for X Y Z
Using a fourier grid of 60x60x60, spacing 0.118 0.118 0.118
Estimate for the relative computational load of the PME mesh part: 0.17
This run will generate roughly 3 Mb of data
How to fix this problem