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

[yuemin liu]

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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