[gmx-users] No such moleculetype Na

[Tsjerk Wassenaar]

Hi Swati,

> Fatal error:
> No such moleculetype Na
>
> But the atom type is present in ffamber03.rtp. I tried changing the atom
> name to NA and Na+. But I still get similar error. Kindly help.

It doesn't complain about the atom type, but about the moleculetype.
Did you #include "ions.itp"? That file contains the moleculetype
definitions for a series of ions, including Na/NA/NA+. The naming
depends on the force field.

Cheers,

Tsjerk



-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623