Re: [AMBER] How continue a crached minimization step?

From: Bill Ross <ross.cgl.ucsf.edu>
Date: Mon, 3 Jul 2017 11:21:05 -0700

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 - 11:30:02 PDT
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