Hi lammps users,
I want to make some groups (dynamically) (each group contains some different molecules), and tell lammps that there is specifically no interaction between the atoms in these groups throughout the process, while the atoms in these groups should have their normal interactions with any other atom in the system.
After searching, I came to the point that probably neigh_modify exclude group can be used for this purpose. But, by using this, don’t the excluded grouped atoms totally lose their pairwise interactions? (i.e. not only within the groups, but also with any other atom not included in the groups?)
Do you have any opinion or know any other option about such case? Thank you.
btw, I’m using opls force field together with kspace long range interactions…
Cheers
X