TURBOMOLE Users Forum

Forum General => Miscellaneous => Topic started by: wwwups on June 27, 2008, 10:22:48 AM

Title: ONIOM-like calculations in TM?
Post by: wwwups on June 27, 2008, 10:22:48 AM

Hi all,
Is there a current/future capability for performing ONIOM-like calculations in TM ? I know that calculations with 100s of atoms are already routine in TM, but would like to treat the quantum mechanical part of the model with a relatively large basis set.
Regards,
Pradeep