Are fragments used anyway?

[icamps]

Hello,

Some of my system are formed by more than one molecule. In this case, xTB correctly identify the current fragments.

My question: Can xTB do any treatment/calculation using this information about having a structure with 2 fragments?

Thanks.

[cplett]

Hi,
Currently, the fragmentation that is printed at the beginning is only used for constraints.

[John-zzh]

Hi there,

I'm also dealing with a system with >=2 fragments, can I define the fragmentation? I think gfnff sometime mis-judge the fragmentation.
for example, I want atom 1-20 for fragment 1, atom 21-100 for fragment 2.