Read them into a program like sander with imin=1 and maxcyc=0.
On Mon, Dec 26, 2022, 7:40 AM Dulal Mondal via AMBER <amber.ambermd.org>
wrote:
> Dear Users,
> I have extracted all restart files at the barrier top of the PMF curve
> (umbrella sampling). My question is how can I calculate the potential
> energy of the respective restart files?
>
> With regards,
> Dulal Mondal
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Received on Mon Dec 26 2022 - 08:00:02 PST
