[gmx-users] amide plane
abil4616 at yahoo.co.uk
Tue Dec 7 19:07:48 CET 2004
i've checked a few runs with gromos 53a6 and can see
that the amide plane is not quite planar, but rather a
flat pyramid. if i measure a dihedral angle for GLY
CA-C-N-O, i get 166,5 dgr. what bothers me is that
having a pyramid means having a pyramid inversion (a
bit like N inversion in amines).
any comments?? incidentally the same angle with
namd/charmm is 178 dgr.
Moving house? Beach bar in Thailand? New Wardrobe? Win £10k with Yahoo! Mail to make your dream a reality.
Get Yahoo! Mail www.yahoo.co.uk/10k
More information about the gromacs.org_gmx-users