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

Yang Ye leafyoung81-group at yahoo.com
Wed Jan 3 02:56:38 CET 2007

You may try add residue name ASO to the end of /top/aminoacids.dat and 
also increment the number on the top.

Yang Ye

On 1/3/2007 8:55 AM, 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,
> Thanks,
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