[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.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120402/6f46c39f/attachment.html>


More information about the gromacs.org_gmx-users mailing list