Merge branch 'devel' into feature-ga

[unres.git] / source / unres / src_MD / src / old_F / check_sc_map.f

diff --git a/source/unres/src_MD/src/old_F/check_sc_map.f b/source/unres/src_MD/src/old_F/check_sc_map.f
deleted file mode 100644 (file)
index 4314e16..0000000
--- a/source/unres/src_MD/src/old_F/check_sc_map.f
+++ /dev/null
@@ -1,49 +0,0 @@
-       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