Hallo, I trying to calculate the structure of a DNA hairpin sequence (15 nucleotides globally) - as I calculate the DNA template I get wrong C1' chirality despite the IMPRoper and DIHEdral angles involving C1' are, in my opinion well defined in the topology as in the parameter files. The wrong chirality is conserved in each of the bases in the subsequent step, too (calculation of a refined stucture due to NOE restrictions).
The result of the process is a sort of globular structure, far from the B-form like double helix I expected. Has anyone any hint to solve the problem? Thanks, Massimiliano Tittarelli PS of course, I can provide the scrits I used to the calculations --
