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

[Rausch, Felix]

Hi Shima,

It seems like this residue is not parameterized for the force field you want to use. Maybe check http://www.gromacs.org/Documentation/File_Formats/Gromacs_Building_Blocks if you can find it under a different name. If not, have a look at http://www.gromacs.org/Documentation/How-tos/Adding_a_Residue_to_a_Force_Field.

Cheers,
Felix

Von: gmx-users-bounces at gromacs.org [mailto:gmx-users-bounces at gromacs.org] Im Auftrag von Shima Arasteh
Gesendet: Donnerstag, 12. April 2012 09:43
An: Discussion list for GROMACS users
Betreff: [gmx-users] Residue 'FOR' not found in residue topology database

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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