tau-RAMD

We usually use the Amber ff14 and Gaff force fields for the protein and the ligand, respectively, but any other force field can be in principle be used. 

In the RAMD procedure, RAMD simulations must be run starting from a number of different coordinates and velocities (referred to as starting replicas) generated in conventional MD simulations Although it is possible to select several starting replicas from a single MD trajectory, it is strongly recommended to run several different trajectories to generate starting replicas for RAMD (with different seed numbers and velocities generated from the Maxwell distribution).