has been calculated on
a 4-dimensional grid of constant values of
,
,
, and
as described in
M. Ramek, C.-H. Yu, and L. Schäfer,
Can. J. Chem. 76, 566-575 (1998).
The RHF/4-21G
energy of For-L-Ala-L-Ala-NH has been calculated on
a 4-dimensional grid of constant values of
,
,
, and
as described in
M. Ramek, C.-H. Yu, and L. Schäfer,
Can. J. Chem. 76, 566-575 (1998).
The following interface can be used to retrieve the energies of
the individual grid points.
and the limitations of the dipeptide approximation.