[gmx-users] Grompp error message

Mark Abraham Mark.Abraham at anu.edu.au
Thu Dec 23 22:25:30 CET 2010


On 24/12/2010 7:01 AM, Sergio Manzetti wrote:
> Dear users,
>
> I made the a topology, but when I grompp for EM I get this weird message:
>
> Fatal error:
> Syntax error - File forcefield.itp, line 12
> Last line read:
> 'Buckingham              1              no           1.0     1.0'
> Found a second defaults directive.
>
>
> I attached the topology here with the gro file. Does anybody recognize 
> this message?

Yes. See http://www.gromacs.org/Documentation/Errors

Mark



More information about the gromacs.org_gmx-users mailing list