Reply To: modeling loops between domains

[Anonymous]

Thanks! Absolutely beautiful.

I assume the lines to be added were along:

for (int i = start_of_linker; i less_than end_of_linker; i++) {
movemap_->set_bb(i, true);
movemap_->set_chi(i, tru);

}

(this thing certainly doesn’t like less_thans)

I do get this:

end: Not in while/foreach.

when it stops, although a molecule has been calculated.

If it’s not too difficult, how do I go about passing start/end residues numbers as a flag (or for that matter whether to do limited relax or not so I don’t need two versions…)?

Thanks,
Dave