Hello all MS expert,
I would like to ask how can I reduce the conjugate gradient parameter in Dmol3 TS search task.
When I perform the TS search task, the TS structure I obtained show a weird structure, not like I hope it was. So, I wanna try to solve this problem by reduce the conjugate gradient value.
When I read in help option, they show me that we can change the number of conjugate gradient, but not the value.
And when I tried to open the setup tab, it did not appear. Could anyone please help me about this problem?
Thank you in advance.
