Hi all,
I'm doing some simulation work on a polymeric system and I'd like to set an atom at the end of my polymer as "non-contact" (so that my short chain molecule behaves as a long polymer during the simulation).
I know you can set head and tail atoms as "non-contact" with the Blends module, but I'd like to build an amorphous cell and run a few NVTs (plus, I don't have a Blends license). Is there any way for me to set an atom as "non-contact" for use in the Amorphous Cell and Discover Dynamics modules?
Thanks ahead of time for your input,
Chris