diff --git a/spall_in.in b/spall_in.in index a8408f0..c840e2b 100644 --- a/spall_in.in +++ b/spall_in.in @@ -8,8 +8,8 @@ atom_style full # ----------------- Interaction potential definition----------------- processors 1 * * -read_data "polyurethana_60nm.data" -include "polyurethana_60nm.params" +read_data "polyurethane_60nm.data" +include "polyurethane_60nm.params" kspace_style pppm 1e-06 # ----------------- Minimize Section ----------------- @@ -58,4 +58,4 @@ run 100000 unfix move_pist -run 400000 \ No newline at end of file +run 400000