AMBER: not getting topology and restraint file

From: Prem Prakash Pathak <>
Date: Tue, 24 Jul 2007 19:39:40 +0530

I am runing the tleap
but at the end i get following message
Added missing heavy atom: .R<CTRP 191>.A<OXT 25>
  total atoms in file: 2681
  Leap added 226 missing atoms according to residue templates:
       1 Heavy
       225 H / lone pairs
Total unperturbed charge: 6.000000
Total perturbed charge: 6.000000
ERROR: syntax error

Checking Unit.
WARNING: The unperturbed charge of the unit: 6.000000 is not zero.

 -- ignoring the warning.

Building topology.
Building atom parameters.
Building bond parameters.
Building angle parameters.
Building proper torsion parameters.
Building improper torsion parameters.
 total 581 improper torsions applied
Building H-Bond parameters.
Not Marking per-residue atom chain types.
Marking per-residue atom chain types.
  (Residues lacking connect0/connect1 -
   these don't have chain types marked:

        res total affected

        CTRP 1
        NMET 1
 (no restraints)

and finaly i am not getting the topology file and the restraint file

what could be the problem
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Received on Wed Jul 25 2007 - 06:07:33 PDT
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