How to find non-parametrised bonds?
Hello!
The code :
```
mol = mbuild.load('<name>.pdb')
ff = foyer.Forcefield(name = 'oplsaa')
mol_ff = ff.apply(mol)
```
gives :
```
Exception: Parameters have not been assigned to all bonds. Total system bonds: <N>, Parametrized bonds: <M>
```
How can I find between which atoms there are bonds that **Foyer** can't parametrise?
Thanks!
关闭于 2025-01-22 2 条评论