Dear friends, I am new to the community and had a question for GSAS users.
I have a powder diffraction data for a zeolite + template (organic molecule) system. I would like to know the best way to represent the molecule for refinement purposes. I currently include it as part of a phase along with the Si and O atoms and set soft constraints on the bond lengths. I wonder if this approach is good enough or should I try the rigid unit option (which does not look trivial, any good link discussing this option?) Thanks for your help. Regards, Ramdas Pophale.
