include 'COMMON.SETUP'
include 'COMMON.MUCA'
include 'COMMON.HAIRPIN'
+C change suggested by Ana - begin
+ integer allareout
+C change suggested by Ana - end
j=1
chain_beg=1
C do i=1,nres
C write(*,*) 'initial', i,j,c(j,i)
C enddo
+C change suggested by Ana - begin
+ allareout=1
+C change suggested by Ana -end
do i=1,nres-1
if ((itype(i).eq.ntyp1).and.(itype(i+1).eq.ntyp1)) then
chain_end=i
c(j,k)=c(j,k)-ireturnval*boxxsize
c(j,k+nres)=c(j,k+nres)-ireturnval*boxxsize
enddo
+C Suggested by Ana
+ if (chain_beg.eq.1)
+ & dc_old(1,0)=dc_old(1,0)-ireturnval*boxxsize
+C Suggested by Ana -end
endif
chain_beg=i+1
allareout=1
C enddo
C NOW Y dimension
+C suggesed by Ana begins
+ allareout=1
+C suggested by Ana ends
j=2
chain_beg=1
do i=1,nres-1
c(j,k)=c(j,k)-ireturnval*boxysize
c(j,k+nres)=c(j,k+nres)-ireturnval*boxysize
enddo
+C Suggested by Ana
+ if (chain_beg.eq.1)
+ & dc_old(1,0)=dc_old(1,0)-ireturnval*boxxsize
+C Suggested by Ana -end
endif
chain_beg=i+1
allareout=1
c(j,i)=c(j,i)+nojumpval*boxysize
c(j,i+nres)=c(j,i+nres)+nojumpval*boxysize
enddo
+C Now Z dimension
+C Suggested by Ana -begins
+ allareout=1
+C Suggested by Ana -ends
j=3
chain_beg=1
do i=1,nres-1
c(j,k)=c(j,k)-ireturnval*boxzsize
c(j,k+nres)=c(j,k+nres)-ireturnval*boxzsize
enddo
+C Suggested by Ana
+ if (chain_beg.eq.1)
+ & dc_old(1,0)=dc_old(1,0)-ireturnval*boxxsize
+C Suggested by Ana -end
endif
chain_beg=i+1
allareout=1