subroutine CAtrace(nres,thecoord,CAatomnumber,theCA) use defs; implicit none ! makes CA trace integer(i4b), intent(in) :: nres real(dp), dimension(:,:), intent(in) :: thecoord ! angstroms integer(i4b), dimension(:), intent(in) :: CAatomnumber real(dp), dimension(:,:), intent(out) :: theCA integer(i4b) :: i do i = 1, nres theCA(:,i) = thecoord(:,CAatomnumber(i)) end do end subroutine CAtrace