[gmx-users] Error when adding a unnatural amio acid

[David van der Spoel]

yuemin liu wrote:
> Hi, Everyone,
> 
> I got Error when adding a unnatural amio acid in a
> protein. I have all the rtp and hdb file modified
> using information either from ffgmx.rtp ffgmx.hdb or
> thr rtp file form progdrg. There is no H1 in either
> rtp file or my new pdb file. When I try use pdb2gmx to
> generate top file, it always give the error message
> following;
> "Atom H1 not found in rtp database in residue ASO, it
> looks a bit like H". I know it refers to the Hydrogen
> of the peptide bond which has nothing wrong there.
> 
> Hope can get help from you with this,
> 
And by the way, avoid using ffgmx. Search archives for reasons why.

-- 
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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