[gmx-users] ions error

[Justin A. Lemkul]

Eduardo Oliveira wrote:
> Hi all,
> 
> After a ran grompp_d in prepration for a Steepest Descente Minimizations 
> with constraints i got the folowing error message:
> 
> Fatal error:
> No such moleculetype CL-
> 
> I don know for shure but i think that i forgot to modify some of the 
> files with the numbers os CL- ions I've introduced into the system.
> 

No, the error is complaining about the ion name, not the number.  If the 
numbering mismatched, you'd get something different.  Check ions.itp for proper 
naming for your force field.

> Here is the command line:
> 
> grommp_d -f stpr.mdp -c sistema_ions.gro -p sistema.top -o sistema_stpr.tpr

The more relevant information would have been your genion command, force field 
name, and Gromacs version.

-Justin

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

========================================