Alex nedomacho at gmail.com
Sun Feb 18 19:45:07 CET 2018


The error is informative. Check the number of entries in the gro file 
and compare it with the [ atoms ] section in your topology, together 
with anything that's added under [ system ]. The total numbers need to 


On 2/18/2018 11:34 AM, neelam wafa wrote:
> Dear gmx users,
> I am doing the tutorial of protein ligand simmulation given at
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/com.
> when I give following command, I get an error.
> gmx grompp -f em.mdp -c solv.gro -p topol.top -o ions.tpr
> the error says the number of coordinates in the sol.gro file and
> topol.top file does not match. How to fix it.
> Help me out please.
> Thanks in advance.
> Regards

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