[gmx-users] Fwd: help

[rama david]

HI vineetha,


On Sat, Apr 21, 2012 at 9:32 PM, vineetha mandlik <vinee2here at gmail.com>wrote:

>
>
>
>
>
> Respected Sir/Madam
>
> I am new to gromacs and on giving the grompp command after genion command
> I am getting the following error:
>
>
>
> 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).
>
>  These shows that your co-ordinates not matching
with topology file....
So use the -p <file name>.top flag
after solvent and ion adiitions, these will prevent such errors

> so can you help me in resolving this issue..
>
>
> Any help in this regard will be highly appreciated.
>
>
>
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120422/003ae6e0/attachment.html>