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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