[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.
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
>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 ?
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