[gmx-users] NADP inferno

Sergio Manzetti sergio.manzetti at bio.uio.no
Mon Apr 7 17:03:01 CEST 2003

Hi all, in regard with NADP in simulation with this protein I have, after 
taking Daan's and Davids advices into account decided to generate the PDB 
of it through PRODREG, then simulate it in vacuum, then in water and then 
with the protein.

The first errror in this path is when using PDB2GMX (I use the PDB with 
polar hydrogens only) :

Fatal error: Atom NBO in residue NADP 1 not found in rtp database
              while sorting atoms

The atomic nomenclature from Prodreg is incorrect! ..using Gromos ore 
Gromacs force field



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