Tinker-HP is now available on NVIDIA GPUs!!! It enables to perform multi-GPUs/multi-nodes simulations with various force fields and neural network (Deep-HP interface). The reference [...]
15.14 Mics SARS_Cov2 Protease data - Full trajectory: AMOEBA_15mics_sampling You can find here our data representing 15.14-microsecond AMOEBA simulation of the apo enzyme started from the [...]