[gmx-users] Fatal Error: UNK
magiofer at gmail.com
Mon Sep 26 14:53:58 CEST 2005
what kind of molecule are you working on? GROMACS force field does not
include many different types of molecules apart from protein and nucleic
acids. it seems that the molecule you have created is of an unknown type. if
it is the case, you have to build a topology file on purpose.
On 9/26/05, Amol D. Atre <ssb4 at udct.org> wrote:
> Hello all,
> I generated pdb file using Export to pdb function available in Ghemical.
> When I ran pdb2gmx I get the following error,
> Fatal error: Residue 'UNK' not found in residue topology database
> Command line: pdb2gmx -f molecule.pdb -o molecule.gro -p molecule.top
> Please help.
> Waiting for reply.
> Amol D. Atre.
> Lab No.A002,
> Chemical Engineering Department,
> Mumbai University Institute of Chemical Technology,
> Matunga(E), Mumbai-400019.
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