How many solute atoms? How many waters? Have you looked at a movie of
the trajectory? What happens at the RMS jump?
Bill
On 11/19/17 10:20 PM, sara.iti.lk wrote:
> Hi,
>
> I equilibrated my protein (angiotensin converting enzyme) for 275ns using
> pmemd.cuda.I have attached my results herewith. Can I use this for my
> production or will I have to change the parameters.
>
> Best Regards,
> Sara.
>
>
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Received on Mon Nov 20 2017 - 00:30:04 PST
