Re: [gmx-users] Re: BAR histogram results

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

[gmx-users] Re: BAR histogram results

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 foreig