Hello Woonghee-- > > > > What will be the easiest way to use Serine-CoA with Xplor-NIH? I guess > genLigand.py is not suitable for this. > >
Unless you can find top/par values someone else used, I suspect it will be easiest to use solution #1 from https://nmr.cit.nih.gov/xplor-nih/faq.html#node0150.txt to generate topology and parameter values for CoA, and then write a little patch to attach it your protein. The required parameters for the patch could be deduced from analogous structures. I can help if need be. best regards-- 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
