[gmx-users] Fatal error: No such moleculetype Na

[Mark Abraham]

vivek sharma wrote:
> Hi All,
> I am trying to run the tutorial 
> "http://code.google.com/p/acpypi/wiki/TutorialAcpypi4Gromacs" for using 
> ACPYPI generated topology with GROMACS.
> I am using amber99sb forcefield for one docked complex. It is running 
> successfully upto genion and giving error while doing grompp for energy 
> minimization
> ----------
> -------------------------------------------------------
> Program grompp_d, VERSION 4.0.5
> Source code file: toppush.c, line: 1641
> 
> Fatal error:
> No such moleculetype Na
> -------------------------------------------------------
>  I tried adding ions entries from amber99sb.rtp to ions.itp and ended up 
> with same error.
> I tried instruction given at 
> "http://www.mail-archive.com/gmx-users@gromacs.org/msg20965.html" which 
> also resulted in same error.
> 
> I was able to successfully perform EM as well as MD without adding ions 
> i.e bypassing the genion step.
> 
> Please, suggest me the way to get rid of this error.

Probably by correctly installing the information about ions. See the 
website from which you got the AMBER port.

Mark