[gmx-users] Error of atomtype before minimization

Mark Abraham Mark.Abraham at anu.edu.au
Tue Mar 11 06:13:38 CET 2008

s lal badshah wrote:
> Dear Gromacs Users,
> Hi! I have tried to correct my file before minimization by adding sodium 
> ions but it gives error by showing no such molecule type,now I made the 
> file of ions.itp
> through Unix editor.I follow the gromacs mail archive.After running the 
> gmpp comand it gives the error:
> Fatal error:
> Atomtype 'oplsa_405' not found!
> ---------------------------------------------     
> Now what should I write for oplsa_405 as I am also using oplsa force field.

This is not the name of the sodium atom type. Check ffoplsaa.atp again


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