[gmx-users] fatal error

Lee Cheng Siang lee at univ-montp2.fr
Fri Jun 27 19:25:02 CEST 2003


Le vendredi, 27 juin 2003, à 19:17 Europe/Paris, David a écrit :

> On Fri, 2003-06-27 at 18:25, Derrick Guang Yuh Lee wrote:
>> just curious, but can anyone tell me what the following line means  
>> and how
>> i can fix it?
>>
>> Fatal error: Atomtype 'C' not found!
>
> That's quite clear isn't it?

Not really, I'm having the same problem but not for 'C' but 'C3' ?

I used x2top to generate the .top file and it went smoothly. Why should  
this error pops up when I run grompp? The atom type should be  
recognised during top file generations no?

thanks

>
>>
>> thanks
>>
>>  - derrick
>>
>>
>>
>>  derrick Lee
>>  faculty of Science
>>  Memorial University of Newfoundland
>>  k24dgyl at mun.ca or derrickglee at hotmail.com
>>
>> "a teacher is never a giver of truth - he is a guide, a pointer to the
>> truth that each student must find for himself. a good teacher is  
>> merely a
>> catalyst."
>>                                                               - bruce  
>> lee
>>
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> --  
> Groeten, David.
> _______________________________________________________________________ 
> _
> Dr. David van der Spoel, 	Dept. of Cell and Molecular Biology
> Husargatan 3, Box 596,  	75124 Uppsala, Sweden
> phone:	46 18 471 4205		fax: 46 18 511 755
> spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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> +
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************************************************************************ 
*****

"Sans la liberté de blâmer, il n'est pas d'éloge flatteur" -  
Beaumarchais.

Kenichi ZhenXiang LEE (Alex),
LEMP-MAO,
Université Montpellier 2,
34000 Montpellier, FRANCE.
Tel : 04 67 14 33 66 (laboratoire)
          06 61 43 72 27 (portable)





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