--- /dev/null
+ subroutine check_sc_map
+C Subroutine is checking if the fitted function which describs sc_rot_pot
+C is correct, printing, alpha,beta, energy, data - for some known theta.
+C theta angle is read from the input file. Sc_rot_pot are printed
+C for the second residue in sequance.
+ include 'DIMENSIONS'
+ include 'COMMON.VAR'
+ include 'COMMON.GEO'
+ include 'COMMON.INTERACT'
+ real*8 xx,yy,zz,al,om
+ real*8 escloc, escloc_ene(50000), escloc_min, alph_plot(50000),
+ & beta_plot(50000)
+ integer al_plot(5000),be_plot(5000)
+ integer iialph, iibet,it
+ write (2,*) "Side-chain-rotamer potential energy map!!!!"
+ escloc_min = 1000000.00
+C it=itype(2)
+ i = 0
+ do iialph=0,18
+ do iibet=-18,18
+ i = i + 1
+ al = iialph*10.0d0*deg2rad
+ om = iibet*10.0d0*deg2rad
+ zz = dcos(al)
+ xx = -dsin(al)*dcos(om)
+ yy = -dsin(al)*dsin(om)
+ alph(2)=dacos(xx)
+ omeg(2)=-datan2(zz,yy)
+ al_plot(i)=alph(2)*rad2deg
+ be_plot(i)=omeg(2)*rad2deg
+C write(2,*) alph(2)*rad2deg, omeg(2)*rad2deg
+ alph_plot(i) = al*rad2deg
+ beta_plot(i) = om*rad2deg
+ call chainbuild
+ call vec_and_deriv
+ call esc(escloc)
+ escloc_ene(i) = escloc
+ if (escloc_min.gt.escloc_ene(i)) escloc_min=escloc_ene(i)
+ enddo
+ enddo
+C write (2,*) "escloc_min = ", escloc_min
+ print *,"i",i
+ do j = 1,i
+ write (2,'(3f10.3,2i9,f12.5)') alph_plot(j),
+ & beta_plot(j),theta(3)*rad2deg, al_plot(j),be_plot(j),
+ & escloc_ene(j) !- escloc_min
+ enddo
+ return
+ end