[gmx-users] PROBLEM IN COORDINATES

[Ali Ahmed]

check your sol.gro if you have molecules more or less than given in your
topology
Best

On Sun, Feb 18, 2018 at 12:34 PM, neelam wafa <neelam.wafa at gmail.com> 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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