Hi lammps-users,
I am trying to run a simulation for TIP4P water and having some trouble with the KSpace style. I get the following error message,
LAMMPS (5 Oct 2007)
Scanning data file …
2 = max bonds/atom
1 = max angles/atom
Reading data file …
orthogonal box = (0 0 0) to (56.7577 56.7577 56.7577)
1 by 1 by 1 processor grid
3000 atoms
2000 bonds
1000 angles
Finding 1-2 1-3 1-4 neighbors …
2 = max # of 1-2 neighbors
1 = max # of 1-3 neighbors
1 = max # of 1-4 neighbors
2 = max # of special neighbors
3000 atoms in group water
1000 atoms in group OW
Finding SHAKE clusters …
0 = # of size 2 clusters
0 = # of size 3 clusters
0 = # of size 4 clusters
1000 = # of frozen angles
PPPM initialization …
ERROR: KSpace style is incompatible with Pair style
I checked the installation and all the required packages are installed. I am not sure where the problem is in my input script. I have attached the input file. Any help will be greatly appreciated.
Thanks,
Jeetain
in.tip4p (693 Bytes)