Hi,
I am trying to use COMPASS in Forcite to optimize a crystal structure. I choose to keep motion groups rigid. However it fails:
Rigid body atoms are shared, or related by symmetry or periodicity.
How can I fix this problem? Thank you!
Shuying
I am trying to use COMPASS in Forcite to optimize a crystal structure. I choose to keep motion groups rigid. However it fails:
Rigid body atoms are shared, or related by symmetry or periodicity.
How can I fix this problem? Thank you!
Shuying