[gmx-users] trjconv PDB format problems (3.2.1)

[David van der Spoel]

Tamas Horvath wrote:
> Hi!
> trjconv generates an invalid HEADER record.
> 
> REMARK    GENERATED BY TRJCONV
> HEADER    Protein in water t=   0.00000
> REMARK    THIS IS A SIMULATION BOX
> 
> According to the pdb file format specifications, it's an invalid header, 
> and it causes problems while parsing.
> So, can it be changed to REMARK?
> 
> (Sorry if it has been changed since 3.2.1)
> 
> 
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What's wrong with it? The header should be a string of max 40 
characters, see 
http://www.pdb.org/pdb/static.do?p=file_formats/pdb/format_guide_noframes.html

What software is complaining about it?

-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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