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- Mon Apr 04, 2022 8:04 am
- Forum: ForceBalance : Automatic Optimization of Force Fields and Empirical Potentials
- Topic: the puzzles of energy fitting
- Replies: 0
- Views: 253
the puzzles of energy fitting
Hello, I am trying to fit energy by forcebalance. The difference between MM and QM is very large in the output file, but the result says "parameter file is the same as original" as shown in the attachement. Then, I changed the corresponding bond force constant from 50.0 to 100.0, to test whether thi...