Dear all,
I have tried to remove bonds between my polymer chains, however, I was not successful at this and thought whether it is possible to define as many atom_styles as I have chains such that all the chains still have the same properties ("angle" for polymers with stiffness)? Thank you in advance.
With best wishes,
Anna
Dear all,
I have tried to remove bonds between my polymer chains, however, I was
not successful at this and thought whether it is possible to define as
many atom_styles as I have chains such that all the chains still have
the same properties ("angle" for polymers with stiffness)? Thank you in
advance.
you don't mean atom styles, but rather atom types.
yes, you can do that. how do you create your initial configurations?
the best strategy to do that depends on it.
cheers,
axel.
Dear Dr Axel,
I went back to a short chain and try to make this work (because 80000 lines of data is not appropriate for this manipulation yet); I do now have 2 atom types that are similar, however, I would like them to be independent chains (with similar properties). I have also deleted bonds, but when I look at this with VMD, the unfortunate bond is still there. In principle, I would like atoms of type 1 to be built "independently" of atom type 2 atoms. Could You possibly suggest where in my thinking the short-circuiting is taking place?
Thank You very much again!
Sincerely yours,
Anna
bead_spring.lam.ex1.test (1.04 KB)
chain.N10.input (1.02 KB)
Dear Dr Axel,
Everything is working! LAMMPS is great!
Sincerely Yours,
Anna