GROMACS version:2023.5
Command line:
gmx grompp -f ions.mdp -c box_sol.gro -p topol.top -o ION.tpr
Ignoring obsolete mdp entry ‘title’
Ignoring obsolete mdp entry ‘ns_type’
NOTE 1 [file ions.mdp]:
With Verlet lists the optimal nstlist is >= 10, with GPUs >= 20. Note
that with the Verlet scheme, nstlist has no effect on the accuracy of
your simulation.
Setting the LD random seed to -1208009731
ERROR 1 [file forcefield.itp, line 1]:
Incorrect number of atomtypes for dihedral (0 instead of 2 or 4)
ERROR 2 [file forcefield.itp, line 2]:
Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)
ERROR 3 [file forcefield.itp, line 3]:
Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)
ERROR 4 [file forcefield.itp, line 4]:
Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)
ERROR 5 [file forcefield.itp, line 5]:
Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)
ERROR 6 [file forcefield.itp, line 6]:
Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)
ERROR 7 [file forcefield.itp, line 7]:
Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)
ERROR 8 [file forcefield.itp, line 8]:
Incorrect number of atomtypes for dihedral (4 instead of 2 or 4)
ERROR 9 [file forcefield.itp, line 9]:
Incorrect number of atomtypes for dihedral (2 instead of 2 or 4)
ERROR 10 [file forcefield.itp, line 10]:
Incorrect number of atomtypes for dihedral (0 instead of 2 or 4)
Program: gmx grompp, version 2023.5
Source file: src/gromacs/gmxpreprocess/topio.cpp (line 612)
Fatal error:
Syntax error - File forcefield.itp, line 17
Last line read:
‘1 2 yes 0.5 0.8333’
Found a second defaults directive.