[gmx-users] Residue 'SIA' not found in residue topology database

[kong.winter]

Hi all,
when I use the following command:"pdb2gmx -f 1G1T.pdb -p gr.top -o gr.gro"
There's a fatal error:
Residue 'SIA' not found in residue topology database

I checked the PDB file, the following details:
HET           SIA  C 601      20
HETNAM     SIA O-SIALIC ACID 
FORMUL     2  SIA    C11 H19 N1 O9 
..........


Who knows how to solve it?
Any tip is appreciated, thank you very much.

Best,
Winter




kong.winter
2007-05-08
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