I am runing an MD simulation using LAMMPS
I have grouped my system like this
group C2908H2032N564O36 molecule 2 5
group C2888H2012N564O36 molecule 1 4
group C2863H2005N564O36 molecule 3 6
compute inter all inter C2908H2032N564O36 C2888H2012N564O36 C2863H2005N564O36
but i keep getting this error
ERROR: Unrecognized compute style ‘inter’ (src/src/modify.cpp:1241)
Last command: compute inter all inter C2908H2032N564O36 C2888H2012N564O36 C2863H2005N564O36
what am i missing here a package or what?
Where does it say that there is a compute inter command?
In the run file. I have generated it from MAPS. When ever I change the cutoff method to ewald summation, i choose the calculate intermolecular interactions. Which is then generated in the run file to compute inter
Then you have to contact the MAPS authors / user support. As you can see here there is no such command in the official LAMMPS distribution.
We cannot help with commands that we don’t know about.