Hello, I am trying to calculate an ensemble of structures but I would like to restrain the whole ensemble to the target ratio of gyration. I know that the following lines restrain each member of the ensemble to the same Rg value. What is the equivalent code to restrain the whole ensemble to the Rtarget and keet the potential name rgyr? Thanks
protocol.initCollapse(sel='all',Rtarget=34) rgyr = AvePot(XplorPot, 'COLL') potList.append(rgyr) ######################################################################## To unsubscribe from the XPLOR-NIH list, click the following link: http://list.nih.gov/cgi-bin/wa.exe?SUBED1=XPLOR-NIH&A=1
