Thank you so much, Charles.I will try this. Thanks,
Ning > On Aug 9, 2021, at 2:52 PM, Charles Schwieters <[email protected]> wrote: > > > 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
