[gmx-users] topology format appears wrong

Gavin Seddon gavin.m.seddon at manchester.ac.uk
Fri Oct 6 04:38:57 CEST 2006


































Hi,
I am investigating glutathione s-transferase however, the GTT residue
isn't in the topology database.  So I extracted the co-ords. from my pdb
and input into prodrg and inserted the topology into the correct force
field file.
When I run pdb2gmx I receive
'
Fatal error:
in .rtp file in residue GTT at line:
     1        OM     1  GTT     O11     1   -0.225  15.9994'

After checking the other ff entries I see my format is wrong.  How shall
I correct this?
Thanks.
Gavin

























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