module defs integer, parameter :: i4b = selected_int_kind(9) integer, parameter :: i2b = selected_int_kind(4) integer, parameter :: ip = kind(1) integer, parameter :: sp = kind(1.0) integer, parameter :: dp = kind(1.0d0) real(dp), parameter :: pi = 3.14159265358979323844_dp & , twopi = 6.28318530717958647688_dp, eps = 0.01_dp & , twopiover3 = 2.09439510239319549229_dp & , sin37 = 0.59972214027798415249_dp & ! sin(36.85) , cos37 = 0.80020831941463461536_dp & ! cos(36.85) , cos106 = -0.28066670892078779654_dp ! cos(106.3) real(dp) :: omegaalpha = pi, & ! 180 deg phialpha = -1.04719755119659774614_dp, & ! -60 deg psialpha = -0.87266462599716478845_dp, & ! -50 deg omegabeta = pi, & ! 180 deg phibeta = -1.74532925199432957691_dp, & !-100 deg psibeta = 2.35619449019234492883_dp ! 135 deg ! see ribosome.f90 for better values ! J Mol Bio(1996) 264, 1180 says 179.6 degrees is a better mean for omega. real(dp), dimension(9), parameter :: Idp = & (/ 1.0_dp, 0.0_dp, 0.0_dp, & 0.0_dp, 1.0_dp, 0.0_dp, & 0.0_dp, 0.0_dp, 1.0_dp /) integer(i4b), dimension(2), parameter :: shape = (/3, 3/) real(dp), dimension(3,3), parameter :: Id = reshape(Idp,shape) end module defs