[gmx-users] simulation of protein in presence of ATP

Mark Abraham Mark.Abraham at anu.edu.au
Tue Jun 23 07:46:26 CEST 2009

nikhil damle wrote:
> Hi,
>    Thanks a lot for the reply. I am submitting ATP crds as ATP.pdb to 
> pdb2gmx and receive the error as "No atoms found in pdb file ATP.pdb" I 
> converted HETATM tag to ATOM tag. Still same error msg. Please find 
> ATP.pdb file attached herewith.

You've broken the PDB format, which encodes the information in 
fixed-column style. See 


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