! write (*,'(e15.8,2e15.5,f12.5,$)') time,potE,uconst,t_bath
! write (*,'(i4,$)') nss,(ihpb(j),jhpb(j),j=1,nss)
! write (*,'(i4,20f7.4)') nfrag,(qfrag(i),i=1,nfrag)
-! write (*,'(8f10.5)') ((coord(k,j),k=1,3),j=1,isize)
+ do j=1,isize
+ write (*,'(3f10.5,i3)') (coord(k,j),k=1,3),j
+ enddo
if (kk.ge.is .and. mod(kk,ifreq).eq.0) then
if (isize .ne. nres+nct-nnt+1) then
print *,"Error: inconsistent sizes",isize,nres+nct-nnt+1