REMARKS PSF_BLD.INP
REMARKS generate a structure including internal coordinates

structure   reset end
ic          reset end

topology
  reset
  @@/home/nilges/toppar2/topallhdg.pro
  MASS CAL 40.08  ! CA
  RESIDUE CAL
    GROUP
      ATOM CAL TYPE CAL CHARGE=2.00 end
  END {cal}
end

parameter
  reset   
  @@/home/nilges/toppar2/parallhdg.pro
  nonbonded cal 0.10000 1.15000 0.1000 1.15000
end


!---------------------------------------------------------------------------
! generate the structure from the sequence and topology information.
! setup=true includes ICs for the builder.
 
segment
   name="A   "
   setup=true
   chain     
      LINK PEPP    HEAD - *     TAIL + PRO     END  { LINK to PRO }
      LINK PEPT    HEAD - *     TAIL + *       END
      FIRSt PROP                TAIL + PRO     END  { nter for PRO }
      FIRSt NTER                TAIL + *       END
      LAST  CTER   HEAD - *                    END
      coor @@a5.pdb
   end
   chain
      coor @@cal.pdb end
   END
end

vector do (segid = "A   ") (segid "    ")

!write psf output= tr2.psf end