polymer design


This question is not really related to LAMMPS.

I have a monomer. I want to design a polymer crystal with highest density packing structure. Basically, I would like to create several copies of the monomer. Then move/rotate/translate each monomer and play in this manner to find out some candidate closed packed structures. Is there a polymer design software that has such functionality ?

Please let me know.

Thank you,


Dear Vivek,

Dr Axel Kohlmeyer’s topotools should do the job: Anna On 05/07/2011 05:57 AM, Vivek Ranjan wrote: