Hi, As a freshman, I wonder if a pdb file was read to coor, the internal coordination will be constructed automatically, then, how about the old IC in rtf? Which will be used for energy calculation? Thanks
Thanks for your reply. So, energy evaluation will be based on the current geometry from coor (generated from pdb or by IC build), ignoreing IC table; and it's not necessary to update IC after obtaining coor from pdb for that purpose, right? Thanks!