I am novice to MS, and is learning from tutorial. I have problems when I follow sorption tutorial: Predicting the loading of ions in Al-substituted zeolite MFI, I am checking here to see whether people has experience on it. Thanks!
1: I followed step to calculate forcefield using sorption preparation opetions dialogue. After making Na atom.xsd the active document and click the calulate button, I got an error message:
Error : The forcefield type calculation failed.
The last error reported was:
The typing engine has failed to calculate a forcefield type for 2 particles.
Press Yes to select atoms that have not been typed.
Press No to carry on
2: Also the tutorial asks to select 5 Si atoms to be changed to Al atoms. Nomatter how I choose, it always more than 5 Si atoms picked, looks like some sites are connected. Is it right? Thanks!
