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

[Mark Abraham]

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 
http://www.wwpdb.org/documentation/format32/v3.2.html

Mark