hi:
In my nanowire model, I want to compute volume of a group of atom, such as mobile group. How can I get the volume ?
Another question is thar which regular is used for atom tag.
regards!
bin zheng
The volume of a group of atoms which could include any atoms, anywhere
is not well-defined. If you know how to do it, you can certainly post-process
it, using a dump file which contains the coords of just the atoms in the group.
Steve