[gmx-users] Some interactions seem to be assigned multiple times

[Shima Arasteh]

I added a new residue by using defined atom types.
I did not get this error with EM. This error happened when I just entered the command of #deffnm NVT. 

Thanks in advance.


Sincerely,
Shima


________________________________
From: Peter C. Lai <pcl at uab.edu>
To: gmx-users at gromacs.org 
Sent: Wednesday, July 18, 2012 9:00 AM
Subject: Re: [gmx-users] Some interactions seem to be assigned multiple times

and this did not happen with EM?

Did you add new atoms/FF parameters to the existing C36 set?

On 2012-07-13 02:05:47AM -0700, Shima Arasteh wrote:
> 
> Dear gmx users,
> 
> 
> My system is composed of a protein and water. I am working with CHARMM36 and the current version of Gromacs, 4.5.5.
> For NVT equilibration , I get this error:
> 
> "Software inconsistency error:
>  Some interactions seem to be assigned multiple times"
> 
> 
> Through the mailing list, I just found that some bugs might be the reason of the error, and the Gromacs version should be current. But as I said I use the current version of Gromacs. I really don't have any idea for solving this problem.
> 
> Any suggestions would be appreciated.
> 
> 
> Sincerely,
> Shima
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