Hello Ning-- > I have a alphafold-predicted structure in hand and I want to > calculate the conformational energy of this alphafold-predicted, How > I can calculate the conformational energy by XPLOR-NIH?
You might comment-out the experimental terms in eginput/gb1_rdc/analyze_refine.py and see what you get. Please let me know if you have problems. Charles ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
