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 - 05:30:04 PDT
