+ q(nQ+2,iii+1)=gyrate(iii+1)
+c 8/28/2020 Adam - determine the fraction of secondary structures.
+ call elecont(.false.,ncont,icont,nnt,nct-1,1)
+ call secondary2(.false.,.false.,ncont,icont,isecstr)
+#ifdef DEBUG
+ write (iout,*) "secondary structure"
+ write (iout,'(80i1)') (isecstr(k),k=1,nres)
+#endif
+ q(nQ+3,iii+1)=0.0d0
+ q(nQ+4,iii+1)=0.0d0
+ q(nQ+5,iii+1)=0.0d0
+ totlength=0.0d0
+ do k=nnt,nct
+ if (itype(k).eq.ntyp1) cycle
+ totlength=totlength+1.0d0
+ l=isecstr(k)
+ q(nQ+3+l,iii+1)=q(nQ+3+l,iii+1)+1.0d0
+ enddo
+ q(nQ+3,iii+1)=q(nQ+3,iii+1)/totlength
+ q(nQ+4,iii+1)=q(nQ+4,iii+1)/totlength
+ q(nQ+5,iii+1)=q(nQ+5,iii+1)/totlength
+c write (iout,*) "iii",iii," nssbond",nssbond,nss
+c q(nQ+6,iii+1)=nssbond
+ q(nQ+6,iii+1)=nss