c include 'COMMON.DISTFIT'
c include 'COMMON.MD'
character*50 tytul
- character*1 chainid(10) /'A','B','C','D','E','F','G','H','I','J'/
+ character*1 chainid(26) /'A','B','C','D','E','F','G','H','I','J',
+ & 'K','L','M','N','O','P','Q','R','S','T','U','V','W','X','Y','Z'/
dimension ica(maxres)
write (iunit,'(3a,1pe15.5)') 'REMARK ',tytul,' ENERGY ',etot
cmodel write (iunit,'(a5,i6)') 'MODEL',1
ires=ires+1
iatom=iatom+1
ica(i)=iatom
- write (iunit,10) iatom,restyp(iti),chainid(ichain),
+ write (iunit,10) iatom,restyp(iti),chainid(1+mod(ichain/2,26)),
& ires,(c(j,i),j=1,3)!,vtot(i)
if (iti.ne.10) then
iatom=iatom+1
- write (iunit,20) iatom,restyp(iti),chainid(ichain),
- & ires,(c(j,nres+i),j=1,3)!,
+ write (iunit,20) iatom,restyp(iti),
+ & chainid(1+mod(ichain/2,26)),ires,(c(j,nres+i),j=1,3)
+!,
! & vtot(i+nres)
endif
endif