[gmx-users] error message

[Leonardo Giantini Trabuco]

» Xavier Periole escreveu:
> Maria Sabaye Moghaddam wrote:
> 
> >Hi Everyone;
> >
> >	I am getting an error message after running:
> >grompp -f name.mdp -p name.top -c name.gro -o name.tpr
> >
> >as 
> >processing coordinates...
> >Fatal error: number of coordinates in coordinate file (name.gro, 202)
> >            does not match topology (name.top, 2548)
> > 
> >
> you have to check the name.top file and include 2346 atoms that are missing
> compared to the name.gro. May be the solvent ??

In that case, you may want to use the '-p' option of genbox, which
updates your topology when the system is solvated.

Leo