diff --git a/tools/matlab/lmp2cfg.m b/tools/matlab/lmp2cfg.m index 473107e308..39d85e786d 100644 --- a/tools/matlab/lmp2cfg.m +++ b/tools/matlab/lmp2cfg.m @@ -197,7 +197,8 @@ for i = 1 : 1 : nfiles auxiliary{k,2}); end end - aid = 1; + aid = atom_data(id(1,1,i),2,i); +% aid = 1; atom_change = 1; for j = 1 : 1 : Natoms(i) if atom_change == 1