|From:||"Diez Fernandez, Amanda" <amanda.diez10@...68...>|
|Date:||Fri, 11 Aug 2017 11:12:25 +0000|
I need to build silica structures in Materials Studio and then convert them to Lammps input.
To learn how to use the msi2lmp tool, I ran it on the quartz.mdf and quartz.car example files provided in Materials studio.
I get the following message:
Msi2LMP is not equipped to handle symmetry operations
Does this mean it cannot convert any crystalline periodic structure? I was reading the LIMITATIONS in the readme file and it is not mentioned.
Can it deal with bonds across periodic boundaries?