On 11/22/18 6:39 AM, Sudarshan Behera wrote:
Hello Gromacs Users, I wanted to know if there is any way to print only the *centre of mass* of a user defined group(instead of all the x,y,z coordinates) during simulation run (mdrun).
There is no such feature. You can extract this information after the fact from the trajectory using gmx traj -ox -com.
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