Dear all,
I have an initial polymer structure with overlapping atoms and was wondering whether it is a good idea to use fix nve/limit 0.01 with the following in order to push the atoms apart:
pair_style soft 1.12
pair_coeff 1 1 5 1
bond_coeff 1 30 15 0.1 1
and after some time to go to the parameters that are needed for my simulation?
Thank you very much for your time!
With best wishes,
Anna