[gmx-users] 11-cis retinal topology problem

[Mark Abraham]

The error happens on the last line it reached. Take a look at it :-)

Mark

On Sun, Jul 7, 2013 at 9:52 AM, Albert <mailmd2011 at gmail.com> wrote:
> On 07/06/2013 10:17 PM, Mark Abraham wrote:
>>
>> That's a completely different output. I think both your executables
>> are broken, somehow. Clean the build and install trees and try again
>> :-)
>>
>> Mark
>
>
>
> Hello Mark:
>
> thanks a lot for kind messages. The previous problem was solved by Justin's
> sugguestions. Here is the errors from debug:
>
> Ignoring obsolete mdp entry 'title'
> Ignoring obsolete mdp entry 'cpp'
>
> Back Off! I just backed up mdout.mdp to ./#mdout.mdp.3#
>
> NOTE 1 [file topol.top, line 1]:
>   Debugging
> NOTE 2 [file topol.top, line 2]:
>   Debugging
> NOTE 3 [file topol.top, line 3]:
>   Debugging
> ......
> NOTE 18 [file topol.top, line 18]:
>   DebugginG
> NOTE 19 [file forcefield.itp, line 1]:
>   Debugging
> NOTE 20 [file forcefield.itp, line 2]:
>   Debugging
> ....
> NOTE 3474 [file ffbonded.itp, line 820]:
>   Debugging
> NOTE 3475 [file ffbonded.itp, line 821]:
>   Debugging
> -------------------------------------------------------
> Program grompp, VERSION 4.6.3
> Source code file:
> kernel/topdirs.c, line: 106
>
>
> Fatal error:
> Invalid angle type 0
> For more information and tips for troubleshooting, please check the GROMACS
> website at http://www.gromacs.org/Documentation/Errors
> -------------------------------------------------------
>
> I still don't know where is the problem.
>
> thank yo uvery much
>
> Albert
>
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