[gmx-users] Some interactions seem to be assigned multiple times
shima_arasteh2001 at yahoo.com
Fri Jul 20 18:02:56 CEST 2012
May this error happen because of the incorrect value of a new-defined residue in .rtp file?
----- Original Message -----
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.
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Peter C. Lai | University of Alabama-Birmingham
Programmer/Analyst | KAUL 752A
Genetics, Div. of Research | 705 South 20th Street
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