[gmx-users] Re: BAR histogram results

[Sonia Aguilera]

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? 

Thank you, 

Sonia Aguilera



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