[gmx-users] Range checking error

[namita at ncbs.res.in]

My initial input file is a model which was generated using Modeller, and
it is a part of the original structure. I am considering fragments of a
particular structure for my analysis. Could this be a possible problem for
running a simulation?? I suppose there is a problem when I try to convert
this PDB file into a .gro file. But I have no clue as to what the possible
problem could be. The format of my input PDB file is correct.

Also I tried to run a job for the original PDB structure which worked
perfectly fine.

> namita at ncbs.res.in wrote:
>> Dear members
>>
>> I happened to get an error which is as follows :
>
>> Range checking error:
>
>> I think it is a problem with energy minimisation and neutralising the
>> system. However I tried many ways to solve the issue, it still seems to
>> give me the same error. Could anyone suggest what could be the possible
>> cause of this error.
>
> There's a problem with either your original structure, or the topology
> with which you're trying to describe its physics. You can find some
> clues here http://wiki.gromacs.org/index.php/Errors#mdrun for causes for
> similar problems, but without more information, we're guessing.
>
> Mark
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