It sounds like your machine didn't crash, your simulation did?
If you are having problems with a simulation getting started, best to
paste the .in file (might as well start with the minimization) into your
mail, along with the part of the output indicating failure.
Bill
On 7/3/17 12:11 PM, Núbia Prates wrote:
> Thank you Elvis and Bill,
>
>
> Now I am heaving the same trouble during the equilibration.
>
> Can you help me with that?
>
>
> Best
>
> Núbia
>
>
> ________________________________
> De: Bill Ross <ross.cgl.ucsf.edu>
> Enviado: segunda-feira, 3 de julho de 2017 15:21
> Para: amber.ambermd.org
> Assunto: Re: [AMBER] How continue a crached minimization step?
>
> Usually minimization is not worth running at much length, if it is to
> prepare for dynamics. I would try about 5-30 minutes of wallclock time
> total, so a crash shouldn't matter. Plot the total energy to see what I
> mean.
>
> Bill
>
> On 7/3/17 7:38 AM, Núbia Prates wrote:
>> Hello,
>>
>> I was running a minimization, but it was not completed due to lack of power. I was wonder if it is possible to continue minimizing where it stopped or I have to do another?
>>
>>
>> Best
>>
>> Núbia
>>
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Received on Mon Jul 03 2017 - 14:00:02 PDT
