[gmx-users] pdb2gmx error.

[David van der Spoel]

Taeho Kim wrote:
> Hi there.
>  
> I ran program pdb2gmx to add hydrogen atom on kcsa(1BL8) ion channel with
> GROMOS96(43a1) force field.
>  
> but, I have got a error message like below.
>  
> =================
> WARNING: atom CZ not found in residue 95 while adding atom
> -------------------------------------------------------
> Program pdb2gmx, VERSION 3.3
> Source code file: genhydro.c, line: 304
>  
> Fatal error:
> Atom CZ not found in residue ARG95 while adding hydrogens
> -------------------------------------------------------
> ==================
>  
> What's the meaning of error?
Just what it says: your molecule has a partially missing sidechain.

>  
> thanks.
>  
> Taeho.
> 
> 
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> 
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-- 
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://xray.bmc.uu.se/~spoel
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