Dear FF Users
I am going to optimize a system containing 3 separate molecules and 2 counter ions. It is tricky since not only the chemical bonds but also the van der Waals bonds must be optimized. Using Firefly we connected different parts with NONVWD, otherwise FF doesn't start optimizing such cases. However it is difficult to get SCF convergence of the system. Is it reasonable to find a local minimum for the system ? I appreciate any comment in advance to overcome and figure the issue out. Best Wishes, m
Attached please find the input-output files.
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[ Ca-177.zip ] input-output files