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

Lucio Ricardo Montero Valenzuela lucioric at ibt.unam.mx
Thu Apr 12 20:44:29 CEST 2012


Hello. You have to check whether the formyl residue is defined with
other name in the force field files. If not, you have to get the
parameters for it.
Best regards
Lucio Montero
El jue, 12-04-2012 a las 00:40 -0700, Shima Arasteh escribió:
> Dear Gromacs friends,
> 
> 
> I attached my .pdb file in this message, as you see, I have formyl
> residue in it. I'd like to get a .gro output of it by using this
> commands, but getting the fatal error:
> 
> 
> # pdb2gmx -f glc.pdb -o glc.gro -ignh -ter -water spc 
> 
> 
> 
> Fatal error:
> Residue 'FOR' not found in residue topology database
> 
> 
> How can I solve this problem? 
> 
> 
> 
> Thanks ,
> Shima
> 
> 
> 
> 
> 
> 
> 
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