[gmx-users] Help regarding clustering of conformations

Sidhanta Swayam Prakash Das sidhanta.spd at gmail.com
Tue Mar 26 13:34:58 CET 2019


hello,
i have the output files of 100ns production simulations. I have treated for
PBC. I want to find clusters of the trajectories. This can be done using
gmx cluster.
But i want to do energy minimization of each snapshot in the trajectory and
then make clusters.
Is there any command or option or solution for this?


Thank you
-- 
Sidhanta Swayam Prakash Das


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