On Sun, Jul 27, 2025, Johnny Su via AMBER wrote:
>
> I've tried multiple methods but I keep ending up with all
>Frames corrupting at the origin and am incapable of fixing it despite weeks
>of trial/error. Hope someone could assist in this endeavor.
The python script you attached is not very helpful. Many things can go awry
with MMPBSA, and in debugging it is important to try to work step-by-step to
find the first error.
In this case, it is hard to understand what you mean by "all Frames
corrupting at the origin". Can you try to work through the steps as much as
possible "by hand", and provide information about the actual error message
that pops up first?
...thx...dac
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Received on Sat Aug 02 2025 - 14:00:03 PDT
