[gmx-users] Error when extending simulation

[Mark Abraham]

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Mark

On Tue, Mar 5, 2013 at 3:11 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 3/5/13 4:41 AM, sebastian wrote:
>
>> On 03/04/2013 09:47 AM, sebastian wrote:
>>
>>> Hi Gromacs user,
>>>
>>> when I try to extend on of my simulations with
>>>
>>> mdrun -deffnm pdz_cis_NVT_disre_equi_3  -cpi
>>> pdz_cis_NVT_disre_equi_3.cpt -append
>>>
>>> I get the  following error
>>>
>>> Fatal error:
>>> Count mismatch for state entry disre_rm3tav, code count is 0, file count
>>> is 13
>>>
>>> and have no idea whats wrong.
>>>
>>>
>> I tried the same thing for a second simulation and get the same error. It
>> seems
>> that this error is connected with restraints. Extending the same
>> simulation
>> without any restraints everything is working perfectly fine.
>>
>>  Any suggestion is very much appreciated
>>>
>>>
> I would suggest filing a bug report on redmine.gromacs.org.  Please
> include all files necessary to reproduce the problem.
>
> -Justin
>
> --
> ==============================**==========
>
> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>
> ==============================**==========
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