Hi all,

I'm having trouble running the Forcite -> Geometry Optimization task on an atomistic structure after a Discover -> NVT Dynamics run. What I did was export the .car output file (from the NVT dynamics run) as a .xsd file, and ran the Geometry Opimization task. I'm running 2000 iterations of the Geometry Optimization task, applying the COMPASS forcefield and atom based summation methods. Every time I run this task, the job fails with the following error message:

"Energy Server failed.

The typing engine has failed to calculate a forcefield type for 100 particles.

Try using a different forcefield or assign types manually (and remember to turn off the automatic calculation of forcefield types).

Unable to calculate energy and gradients.

Geometry optimization finished with an error condition."

Could someone please help me resolve this issue? Any help is much appreciated!

Best,

Matthew