Hi all, I am very new to xplor. I am trying to read a pdb file but keep getting error messages like:
%READC-ERR: atom 69 TYR C not found in molecular structure or %SEGMNT-ERR: attempt to enter duplicate residue MAIN 16 LYS The broad picture of what I am trying to do is to load a bunch of structures in pdb format (30 residues each) calculated from NMR data in order to obtain the energies. Can this be done in xplor at all or do I need to have generated the structures within xplor instead of with another program? Could somebody recommend me some topology and parameter files? Any help would be very much apreciated. Inigo Alana Department of Biochemistry Conway Institute UCD - Belfield Dublin 4 Ireland
