[gmx-users] Regarding errors

Anirban Ghosh reach.anirban.ghosh at gmail.com
Fri Apr 27 11:54:49 CEST 2012


On Fri, Apr 27, 2012 at 3:17 PM, seera suryanarayana <palusoori at gmail.com>wrote:

> Respected Sir,
>
>                     While i am running gromacs software i am getting the
> following error.Kindly knowing me how to over come the error.
>
>                     Fatal error:
>                                     number of coordinates in coordinate
> file (1cys_ion.gro, 99670)
>                                     does not match topology (1cys.top,
> 99680)
>
> Your .top file contains 10 extra atoms than you .gro file. Check whether
any ion has been mentioned twice by mistake in the .top file.

>
>
> SURYANARAYANA SEERA,
> PhD student.
>
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