[gmx-users] Help!

[David van der Spoel]

On Fri, 26 Dec 2003, ankur gupta wrote:

>Hi I am new in Gromacs and while trying to convert 1QHK.pdb file to
>gromacs file using pdb2gmx command encountered the following error. 
>
>Fatal error: Atom HA1 is residue GLY 1 not found in rtp database while
>sorting atoms. May be different protonation state. Remove this hydrogen or
>choose a different protonation state. Option -ignh will ignore all 
>hydrogen in the input.
>

Run 
pdb2gmx -ignh
 


>I have encountered similar type of error with other Proteins also. Please
>help me. Its really Urgent.
>Thanks
>Ankur Gupta
>
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-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assist. 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://xray.bmc.uu.se/~spoel
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