Dear LAMMPS users,
I am trying to dump the atom attributes fx,fy,fz for each atoms in particular group.The problem like this: I have threes groups A.B and C.I want to calculate the atom attributes during the MD,only considering the inter-molecular interactions.Then output the fx,fy,fz for each atoms in group A( consider the effects of group B and C on group A). Firstly,I have used the "neigh_modify" to exclude the interactions in the same group.Can I reach my purpose by those command lines below?
group A type 1
group B type 2
group C type 3
compute 1 all stress/atom NULL
compute 2 all reduce sum c_1 c_1 c_1
dump 3 all custom 500 dump.force id type fx fy fz