[gmx-users] ions error

Eduardo Oliveira eduardobio at yahoo.com.br
Mon Apr 2 21:36:04 CEST 2012

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.

Here is the command line:

grommp_d -f stpr.mdp -c sistema_ions.gro -p sistema.top -o sistema_stpr.tpr

Thanks in advance.
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