+++ /dev/null
- module check_bond_
-
- use names
- use geometry_data
- use energy_data
- use geometry, only: chainbuild
- use energy, only: etotal
- implicit none
-!-----------------------------------------------------------------------------
- contains
-!-----------------------------------------------------------------------------
-! check_bond.f
-!-----------------------------------------------------------------------------
- subroutine check_bond
-! Subroutine is checking if the fitted function which describs sc_rot_pot
-! is correct, printing, alpha,beta, energy, data - for some known theta.
-! theta angle is read from the input file. Sc_rot_pot are printed
-! for the second residue in sequance.
-! include 'DIMENSIONS'
-! include 'COMMON.VAR'
-! include 'COMMON.GEO'
-! include 'COMMON.INTERACT'
-! include 'COMMON.CHAIN'
- real(kind=8),dimension(0:n_ene) :: energia
-!el local variables
- integer :: it,i
-
- it=itype(2)
- do i=1,101
- vbld(nres+2)=0.5d0+0.05d0*(i-1)
- call chainbuild
- call etotal(energia)
- write (2,*) vbld(nres+2),energia(17)
- enddo
- return
- end subroutine check_bond
-
- end module check_bond_