29 Jul
2004
29 Jul
'04
10:01 a.m.
Modellers, When refining loops, can symmetry restraints be included also? For instance, if I have a tetrameric model protein and want to model a ~15 residue loop, constrain a portion of that loop to an alpha helix, and maintain tetrameric symmetry, can I simply add the special_restraints one would use for secondary structure and symmetry after the loop definition? I tried that approach and the resulting PDB file has absurdly bizarre dihdrals etc. Attached is an example of the .top file I tried.
Any insight would be appreciated, thanks,
David Piper