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
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
AMBER -- AMBER Mailing List<
http://lists.ambermd.org/mailman/listinfo/amber>
lists.ambermd.org
AMBER -- AMBER Mailing List About AMBER: This is the AMBER Mailing List. It is designed to provide a forum for users of the AMBER Molecular Dynamics and related ...
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
AMBER -- AMBER Mailing List<
http://lists.ambermd.org/mailman/listinfo/amber>
lists.ambermd.org
AMBER -- AMBER Mailing List About AMBER: This is the AMBER Mailing List. It is designed to provide a forum for users of the AMBER Molecular Dynamics and related ...
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jul 03 2017 - 13:30:02 PDT
