Dear all,
1-How can I compute the total potential energy of a specific group?
2-Is there any way to compute the potential energy of each atom with other
atoms just in the group?
Any help would be appreciated.
Regards,
Ali
Dear all,
1-How can I compute the total potential energy of a specific group?
2-Is there any way to compute the potential energy of each atom with other
atoms just in the group?
Any help would be appreciated.
Regards,
Ali
See the compute pe/atom and compute group/group commands.
Steve