Hello,
I am currently working on structure calculations using 2D homonuclear NOESY spectra. I was able to setup Xplor_nih structure calculation and generate the script.sh for running the calculation. After typing ./script.sh in the setup directory, I received the following in the terminal:
It appears that the file pass1.shifAssignments could not be generated. Please assist me in troubleshooting this issue.
Thank you so much for your help in advance!