Hello guys
I've built a MMT crystal using the Build Crystal Module in Materials Studio. When I tried to perform some Molecular Dynamics or Energy Minimisation using the DISCOVER Module the task failed. I've got the error message saying that the Forcefield could not find the bond definitions for some of my atoms. Nevertheless when I look at the structure on the 3D Window it looks reasonable.
Any ideas or suggestions what I might have done wrong?
Thanks a lot in advance
K
I've built a MMT crystal using the Build Crystal Module in Materials Studio. When I tried to perform some Molecular Dynamics or Energy Minimisation using the DISCOVER Module the task failed. I've got the error message saying that the Forcefield could not find the bond definitions for some of my atoms. Nevertheless when I look at the structure on the 3D Window it looks reasonable.
Any ideas or suggestions what I might have done wrong?
Thanks a lot in advance
K