Thank you Valentin. Ayy idea if Pyemma can be used on Google Colab?
On Wed, Aug 31, 2022 at 5:27 AM Valentin Hörschinger via AMBER <
amber.ambermd.org> wrote:
> Hi,
>
> the excellent PyEMMA Python library (http://www.emma-project.org)
> supports AMBER trajectories directly as it uses mdtraj internally.
> There are tutorials available in their documentation of how to produce
> free energy plots based on tICs.
>
> Best regards,
> Valentin
>
> On 8/30/22 20:10, Suchetana Gupta via AMBER wrote:
>
> > Hello community
> > Any help/insights for this?
> > Thanks
> > Suchetana
> >
> > On Fri, Aug 26, 2022 at 4:08 PM Suchetana Gupta <
> suchetana.gupta.gmail.com>
> > wrote:
> >
> >> Dear Amber Users
> >> Is there any way within Amber to get tIC (time lagged independent
> >> component) plots from our enhanced sampling trajectories? Or any
> external
> >> thing where Amber trajectory could be an input for doing these?
> >>
> >> Thanks
> >> Suchetana
> >>
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Received on Wed Aug 31 2022 - 10:30:50 PDT
