Constraint Optimization using OpenMolcas
Dear Developers
Can anybody please let me know how can I do constraint optimization using OpenMolcas. My system has two fragments which are ~10Angstrom apart from each other. Please let me know what should be the modification in the input such that C(3) and C(5) has a distance of 10 Angstrom.
Below is my input for Optimization.
Thank you