[gmx-users] Help regarding clustering of conformations

[Sidhanta Swayam Prakash Das]

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

On Tue, Mar 26, 2019 at 5:42 PM Sidhanta Swayam Prakash Das <
sidhanta.spd at gmail.com> wrote:

> 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
>


-- 
Sidhanta Swayam Prakash Das