[gmx-users] Fatal error: Atomtype CB not found

[Mark Abraham]

On 10/05/2011 3:10 AM, Justin A. Lemkul wrote:
>
>
> ITHAYARAJA wrote:
>> Dear Sir
>>
>> Greetings!
>>
>> I am following every gromacs applications based on your manuals. I 
>> now get stuck in grompp -energy minimization step during generation 
>> of .tpr file for my ligand and protein. the error which i found is 
>> the following,
>>
>>
>> Ignoring obsolete mdp entry 'title'
>> Ignoring obsolete mdp entry 'cpp'
>>
>> Back Off! I just backed up mdout.mdp to ./#mdout.mdp.5#
>>
>> WARNING 1 [file em.mdp, line unknown]:
>>   Unknown or double left-hand 'coulomtype' in parameter file

Spelling is particularly important when dealing with literal-minded 
computers. You have to get it right.

Mark

>>
>> checking input for internal consistency...
>> processing topology...
>> Opening library file /usr/share/gromacs/top/
>> ffG43a1.itp
>> Opening library file /usr/share/gromacs/top/ffG43a1nb.itp
>> Opening library file /usr/share/gromacs/top/ffG43a1bon.itp
>> Opening library file /usr/share/gromacs/top/ff_dum.itp
>> Generated 279 of the 1225 non-bonded parameter combinations
>>
>> -------------------------------------------------------
>> Program grompp, VERSION 4.0.7
>> Source code file: ../../../../src/kernel/toppush.c, line: 947
>>
>> Fatal error:
>> Atomtype CB not found
>> -------------------------------------------------------
>>
>> Sir, I couldn't understand what did it refers to? So I kindly request 
>> you spare your little time from your busy schedule to solve this 
>> problem.
>>
>
> You're mixing and matching force fields.  Atom type CB does not exist 
> in Gromos96 43A1, it comes from the deprecated ffgmx force field.
>
> -Justin
>
>> Thank you, Sir
>>
>>
>> -- 
>> **
>> Ithayaraja M,
>> Research Scholar,
>> Department of Bionformatics,
>> Bharathiar University,
>> Coimbatore 641 046,
>> Tamil Nadu
>> India
>>
>