Hello List,
>From the AMBER 16 manual, I understand that thermodynamic integration and
free energy perturbation are not supported for GPU simulations. Does this
mean I can only calculate free energy (difference) from steered MD and
umbrella sampling when using GPU?
There seems to be no mentioning of linear interaction energy or
temperature-based REMD?
Thanks for any advice,
Yun
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Received on Wed Aug 03 2016 - 16:30:03 PDT
