[gmx-users] Help regarding clustering of conformations

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

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

More information about the gromacs.org_gmx-users mailing list