Hello. I was wondering, is Turbomole necessary to use the interactive bash scripts such as gimic-run.sh? I tried to use gimic-run.sh with just a MOL, XDENS, and coord.xyz file and got the error "Please run the bond integral calculation from a directory containing the files MOL, XDENS, coord and coord.xyz". It seems the problem is I am missing the coord file but my understanding is that file can only be generated with Turbomole. Is this correct?
Hello. I was wondering, is Turbomole necessary to use the interactive bash scripts such as gimic-run.sh? I tried to use gimic-run.sh with just a MOL, XDENS, and coord.xyz file and got the error "Please run the bond integral calculation from a directory containing the files MOL, XDENS, coord and coord.xyz". It seems the problem is I am missing the coord file but my understanding is that file can only be generated with Turbomole. Is this correct?