[gmx-users] grommp problem in gromacs 4.6.1

[Mark Abraham]

Looks like it. Please open an issue at gromacs.redmine.org and attach
enough files and instructions to reproduce the problem.

Thanks

Mark
On May 24, 2013 9:48 PM, "cyberjhon" <cyberjhon at hotmail.com> wrote:

> Hi guys
>
> I am trying to generate a .tpr file using grommp in gromacs 4.6.1.
> Unfortunately I am obtaining a very strange error:
> -------------------------------------------------------
> Program grompp, VERSION 4.6.1
> Source code file:
> /N/u/ortgrp/Quarry/src/gromacs-4.6.1/src/kernel/toppush.c,
> line: 1336
>
> Fatal error:
> Atomtype Zn2+ not found
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
>
> The problem is that I do not have Zn2+ in my files. Neither in the .gro or
> in the .top
> I tried with a previous version 4.5.5 and it worked perfectly.
> I am using opls and it does not contain Zn2+, so that is more rare.
>
> I can not attach the .gro and .top files because the are like 300MB each.
>
> Can you tell me something? is this a bug?
>
> Thanks
>
> John Michael
>
>
>
>
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