Hi Charmm users,
Assume I have two difference structures named X and Y of a dimer complex getting from two frames of a simulation. I want to align X to Y so that chain A of X align to chain A of Y and chain B of X align to chain B of Y and using new coordinates of X as input for the next simulation step.
I tried to use "coor orient rms ... sele seg A ,and coor orient rms ... sele seg B". However, this option will move all coordinates at the same time.
Could you suggest any solution for this?