Hi all, I want to build a supercell of 3*3*3 from the attached .cif file. I am using super cell option in avogadro. When I build and download pdb file, I see some broken molecules (not complete structures). As this broken molecules create trouble in generating input for MD runs. Could you please suggest, how to create a proper complete supercell from .cif file. I could not solve this from many days. I would highly appreciate your help.
Thanks & Regards, Mohan
1100654.cif
Description: application/vnd.multiad.creator.cif
------------------------------------------------------------------------------
_______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss