Dear Amberists,
I have constructed a mutated alanine Amber unit called VALA (to generate mutated poly alanine molecule). The N and C terminal of the mutated unit remains the same (-HN-CA-CT-HN-CO-). When I attach 8 VALA unit together to generate a extended polymer structure, it generates extended pdb file but each UNIT goes parallel instead of anti parallel arrangement. A regular Alanine model is attached. I want to have my block similar to regular one. I would highly appreciated if any one suggest me which is the key parameter that defines the anti parallel arrangement of units of an extended structure.?
I have also defined DIHIDRALS but didn't work.
thanks you in advance
--Best regards
Vasantha