Hi,
is it possible to access the "Modify -> Constraints -> Atom tab -> Fix Cartesian position" function using perl script? My script is adding new atoms during a run and a few of them need to be fixed to certain positions before automated forcite geometry optimizations.
thank you
is it possible to access the "Modify -> Constraints -> Atom tab -> Fix Cartesian position" function using perl script? My script is adding new atoms during a run and a few of them need to be fixed to certain positions before automated forcite geometry optimizations.
thank you
