[gmx-users] pdb2gmx splits residues from protein

[Anton Feenstra]

Sergey Pintus wrote:

> Hello!
> 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.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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