[gmx-users] atom type not found error

Yu Sun (Denis) yus at CLEMSON.EDU
Tue Dec 16 19:51:01 CET 2003


My pdb file is  not a protein but a polymer surface I modeled. However, 
when I checked with the tutorial examples, with speptide.pdb same error 
message occurred. In the case of speptide.pdb, if I choose forecefiled 1, 
It is fine.

Thanks,

Denis

At 06:22 PM 12/16/2003 +0100, Ruben Martinez Buey wrote:
>Hi Yu Sun,
>
>Probably, your pdb file contains heteroatoms or has a strange nomenclature 
>that GROMACS cannot recognice.
>
>Have you checked this?
>
>Hope this help
>
>good luck!
>
>Ruebn
>
>
>Yu Sun (Denis) wrote:
>
>>Dear Gmx usrs,
>>
>>When using pdb2gmx, selected forcefield 0, got fatal error:
>>
>>Atom type N(residue ABU) not found in atomtype database
>>
>>Could someone kindly explain to me how to fix this problem ?
>>
>>Thanks,
>>
>>Denis
>>
>>_______________________________________________





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