[gmx-users] Problem using gromacs

[shagun krishna]

Since you have added the co-ordinayes of jz4 into the CONF.GRO. Therefore
to reflect this change you have to increment the second line of conf.gro so
that it shows total atoms of the system means protein+ ligand.

On Mon, Jan 4, 2016 at 2:57 PM, soumi <soumi90 at rediffmail.com> wrote:

> Respected Sir,
>               I am new user of gromacs. When I use the following command
> gmx grompp -f ions.mdp -c 1aki_solv.gro -p topol.top -o ions.tpr
>
> I get the following error :Number of coordinates in coordinate file does
> not match topology file.
> Please tell me how can I correct the number of coordinates in gromacs?
>
> With regards,
> SoumiDas
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