[gmx-users] Re: BAR histogram results

[Justin Lemkul]

On 3/5/13 10:56 AM, Sonia Aguilera wrote:
> Thank you Justin,
>
> I will add some lamda points between 0.1 to 0.5 and 0.5 to 0.9. I have a
> quick question related to recalculation. If I add, for example, a new lamda
> value of 0.3, I will set the following setting in the mdp file:
>
> init_lambda              = 0.3
> delta_lambda             = 0
> foreign_lambda           = 0.1 0.5
>
> Does it mean that I have to repeat my simulations for 0.1 and 0.5 so that
> they can have foreign lambda 0.3?
>

That would make sense to me, yes.

-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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