Charmm c40b1 g09 interface qm/mm script - 03/08/17 12:37 PM
Good mornings,
Recently I compiled charmm with g09 interface to attempt qm/mm simulation. I have looked in the QM/MM section and in the script sections and there is no example scripts for this interface.
Can someone provide an example script for qm/mm using gaussian?
what is the syntax to define the QM region?
Thank you so much Kind Regards,
Recently I compiled charmm with g09 interface to attempt qm/mm simulation. I have looked in the QM/MM section and in the script sections and there is no example scripts for this interface.
Can someone provide an example script for qm/mm using gaussian?
what is the syntax to define the QM region?
Thank you so much Kind Regards,