Firefly and PC GAMESS-related discussion club

 
Learn how to ask questions correctly  
 
 

 

GrEv
grevgen13@gmail.com

I would like to freeze atoms completely, avoiding use of the keyword IFREEZ.
There is the keyword IFRZAT, which freezes all the distances between
the specified atoms. However, the atoms frozen with IFRZAT still can rotate as a whole
with respect to the other atoms. I am wondering how one can suppress also
this degree of freedom. (For example, one could freeze the distance from the origin to
the atoms specified in IFRZAT. Is that possible?)

Many thanks!

Evgeniy