[gmx-users] problem

Richard Broadbent richard.broadbent09 at imperial.ac.uk
Fri May 11 16:05:15 CEST 2012

Dear Anik,

> Hi, Am Anik Sen. AM using GROMACS 3.3.2 for one of my work.
Is there a particular reason you are using such an old version of

If not then switch to the latest version as there have been many

>           I was trying to run the dynamics for some inorganic metal
> halides solvation in water. A fatal error is comingthat:
>       * Atomtype "CH2r" not found. 
This is not enough information to let us help you please include the
command you ran. e.g. "$ grompp -f mdout.mdp -c conf.gro -p topol.top"
and all the relevant lines of the output.

> But in my system I have no such atoms. Only water molecules with tip4p
> model and the inorganic metal halides. So please can anyone state
> whats the problem. 
Assuming this error is occuring from grompp it suggests that there is
such an atom in your system check the [ atoms ] section in your .top
file and also the atom names in your .gro file.



> Thanking in advance
> Anik Sen
> ========================================================
> Anik Sen
> Student
> CSIR-Central Salt & Marine Chemicals Research Institute,
> Gijubhai Badheka Marg.
> Bhavnagar, Gujarat 364002
> www.csmcri.org
> ========================================================
> -- 
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

More information about the gromacs.org_gmx-users mailing list