[gmx-users] Fwd: help

[Mark Abraham]

On 22/04/2012 2:02 AM, vineetha mandlik wrote:
>
>
> ---------- Forwarded message ----------
> From: *vineetha mandlik* <vinee2here at gmail.com 
> <mailto:vinee2here at gmail.com>>
> Date: Sat, Apr 21, 2012 at 9:22 PM
> Subject: help
> To: gmx-users-request at gromacs.org <mailto:gmx-users-request at gromacs.org>
>
>
> Respected Sir/Madam
>
> I am new to gromacs and on giving the grompp command after genion 
> command I am getting the following error:

You need to provide us with copies of those commands for us to be able 
to help you.

>
>
>
> Even after running the genion command and adding 4 Na+ ions before the 
> grompp command i still get
>
> Note: the system has non zero charge: -4.99998e+0.0 and then this error..
>
> Number of coordinates in coordinate file (x_b4em.gro,24736) does not 
> match topology (x.top,247535).
>
>
> so can you help me in resolving this issue..

Why does your topology have a factor of 10 more atoms than your 
coordinate file?

Mark

>
>
> Any help in this regard will be highly appreciated.
>
>
>
>

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