please response.
On Sun, Jan 5, 2025 at 6:09 PM Dulal Mondal <
babunmondal.chem.kgpian.iitkgp.ac.in> wrote:
>
> Dear Experts,
> I am trying to run aMD simulation using amber24. I set the following
> parameters in the mdin file
> iamd=1,
> ethreshp=-159511.27,
> alphap=8490.88,
>
> aMD simulation runs properly. But when I visualize the trajectory I see
> the following snapshotr of the protein.
> Is this correct? If not, what can I do? How do I set the aMD parameter?
> --
> *With regards,*
> *Dulal Mondal,*
> *Research Scholar,*
> *Department of Chemistry,*
> *IIT Kharagpur, Kharagpur 721302.*
>
--
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
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Received on Mon Jan 06 2025 - 02:00:02 PST
