[gmx-users] problem

[Richard Broadbent]

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
gromacs? 

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

> 
>           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.

Regards,

Richard

> 
> Thanking in advance
> Anik Sen
> 
> ========================================================
> Anik Sen
> Student
> CSIR-Central Salt & Marine Chemicals Research Institute,
> Gijubhai Badheka Marg.
> Bhavnagar, Gujarat 364002
> www.csmcri.org
> ========================================================
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