[gmx-users] meaning of a grompp 3.3.1 error ?

[Ivana Mihalek]

Thank you David.
Is there a way I can make the program tell me the input file name and  
the offending input line?
This is difficult for me to reconstruct, bcs I am not writing my own
itp files  - I use $GMX_HOME/share/top files, or the ones produced by 
prodrg.
I.

David Mobley wrote:

> You've specified too many parameters for some section somewhere in
> your topology file; probably 3.2.1 wasn't checking for this. Usually
> this would happen, for example, if you specify too many bond
> parameters on a line in the bonds section, or too many atom indices
> for distance restraints, or some such.
>
> David
>
>
> On 6/27/06, Ivana Mihalek <imihalek at bcm.edu> wrote:
>
>> Dear all,
>>
>> when running grompp I get the following error
>> in some cases (and I am not sure what makes these cases special)
>>
>> -------------------------------------------------------
>> Program grompp, VERSION 3.3.1
>> Source code file: toppush.c, line: 1180
>>
>> Fatal error:
>> Incorrect number of parameters - found 6, expected 2 or 4.
>> -------------------------------------------------------
>>
>>
>> Anybody familiar with toppush.c, to tell me what kind
>> of parameters is the program considering on the line 1180?
>>
>> (The same input works for grompp 3.2.1)
>>
>> Thanks,
>>
>> Ivana
>>
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