[gmx-users] Error when extending simulation

[Justin Lemkul]

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

-- 
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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

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