[gmx-users] FF 43a1 - Residue Name / Editor Prob?

[Marc Charendoff]

Hey all,

     I am trying to pdb2gmx a pdb file using the 43a1 force field and despite my checking the .atp and .rtp files, I still get the following error . . .

Back Off! I just backed up posre_A.itp to ./#posre_A.itp.2#
Processing chain 2 '+' (2 atoms, 1 residues)
There are 0 donors and 0 acceptors
There are 0 hydrogen bonds
Warning: 'ZN2' not found in residue topology database, trying to use 'ZN2+'

-------------------------------------------------------
Program pdb2gmx, VERSION 3.3.3
Source code file: ../../../src/kernel/pdb2gmx.c, line: 421

Fatal error:
Atom ZN2 in residue ZN2+ 1 not found in rtp entry with 1 atoms
             while sorting atoms
-------------------------------------------------------


BUT . . . . I thought I DID use ZN2+.    

ATOM   1912  CG2 ILE A 240      22.637  28.530  -5.925  1.00 16.18      .000  
ATOM   1913  CD1 ILE A 240      22.075  30.322  -3.413  1.00 16.47      .000  
ATOM   1914  ZN2+ ZN2+ A 241    11.832  23.652  11.052  1.00 20.05      .000  
ATOM   1915  ZN2+ ZN2+ A 242    11.551  25.149  14.101  1.00 23.28      .000  
ATOM   1916  O   HOH A 243      11.793  23.332  13.260  1.00 19.06      .000  
ATOM   1917  HW1 HOH A 243      12.609  23.332  13.837  1.00  0.00
ATOM   1918  HW2 HOH A 243      10.977  23.332  13.837  1.00  0.00
END

Any guidance you could  provide would be appreciated.

Thanks, Marc
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