[gmx-users] pdb2gmx splits residues from protein
feenstra at chem.vu.nl
Tue Feb 10 08:45:03 CET 2004
Sergey Pintus wrote:
> In order to run a simulation I make a *.gro file from a PDB
> query with pdb2gmx. My input PDB structure contains 198
> residues, but in the output file there are only 187 of them.
> This error does not appear with other PDB files. Tell me
> please, what may be wrong with this query?
Are you sure you are not confused with the numbering? pdb2gmx
will re-number residues from '1', so if your first residue in the
input .pdb file is, e.g., 12, the last one in the ouput will be
187 in stead of 198.
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| _ _ ___,| K. Anton Feenstra |
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