We have recently discovered a bug in the geometry optimization that was introduced in the 6.6 development cycle.
The bug could manifest itself by dramatically increasing the number of geometry optimization steps required to optimize a structure.
Constraining torsional angle deactivated by CVR_scaling
Dear All
I am trying to optimize a certain structure which requires me to use CVR_scaling and constrain some torsional angles, when I run the job it runs without error but it turns out that the torsional angles are not constrained at the desired angle. I suspect that the cvr_scaling deactivates the constrains. can anyone please help.