Hi Everyone -
Does anyone know how to do a partial molecular geometry optimization in Forcite? Ie: an optimization in which you would fix the conformation of part of the molecule and then let the rest of the molecule relax in a Forcite geometry optimization.
Thanks in advance for thoughts!
Rick Ross
Does anyone know how to do a partial molecular geometry optimization in Forcite? Ie: an optimization in which you would fix the conformation of part of the molecule and then let the rest of the molecule relax in a Forcite geometry optimization.
Thanks in advance for thoughts!
Rick Ross