Hello Sudakshina-- > I was able to create a combined PSF file for my DNA-ligand > system. However, I am unable to find any specific script for > DNA-ligand refinement. Can you please suggest if there is any > specific script for DNA-ligand or do I have to modify any existing > script to include the parameters I require?
You are correct that there is no example of precisely this problem in the Xplor-NIH distribution. You might work from eginput/relaxRatio/dock.py for initial docking and then eginput/gb1_rdc/refine.py for refinement. Please let us know if you run into difficulties. best regards-- Charles _______________________________________________ Xplor-nih mailing list [email protected] https://dcb.cit.nih.gov/mailman/listinfo/xplor-nih
