j = jres_homo(ii)
dij=dist(i,j)
c write (iout,*) "dij(",i,j,") =",dij
+ nexl=0
do k=1,constr_homology
- if(.not.l_homo(k,ii)) cycle
+ if(.not.l_homo(k,ii)) then
+ nexl=nexl+1
+ cycle
+ endif
distance(k)=odl(k,ii)-dij
c write (iout,*) "distance(",k,") =",distance(k)
c
write (iout,*) "distancek",(distancek(k),k=1,constr_homology)
write (iout,* )"min_odl",min_odl
#endif
+#ifdef OLDRESTR
odleg2=0.0d0
+#else
+ if (waga_dist.ge.0.0d0) then
+ odleg2=nexl
+ else
+ odleg2=0.0d0
+ endif
+#endif
do k=1,constr_homology
c Nie wiem po co to liczycie jeszcze raz!
c odleg3=-waga_dist(iset)*((distance(i,j,k)**2)/
c & -(6.28318-dih_diff(i,k))
c if (dih_diff(i,k).lt.-3.14159) dih_diff(i,k)=
c & 6.28318+dih_diff(i,k)
-
+#ifdef OLD_DIHED
kat3=-0.5d0*dih_diff(k)**2*sigma_dih(k,i) ! waga_angle rmvd from Gaussian argument
+#else
+ kat3=(dcos(dih_diff(k))-1)*sigma_dih(k,i)
+#endif
c kat3=-0.5d0*waga_angle*dih_diff(k)**2*sigma_dih(k,i)
gdih(k)=dexp(kat3)
kat2=kat2+gdih(k)
sum_gdih=kat2
sum_sgdih=0.0d0
do k=1,constr_homology
+#ifdef OLD_DIHED
sgdih=-gdih(k)*dih_diff(k)*sigma_dih(k,i) ! waga_angle rmvd
+#else
+ sgdih=-gdih(k)*dsin(dih_diff(k))*sigma_dih(k,i)
+#endif
c sgdih=-gdih(k)*dih_diff(k)*sigma_dih(k,i)*waga_angle
sum_sgdih=sum_sgdih+sgdih
enddo