That's interesting.
So if I have 4x100 frames, and set:
&general
endframe=100, verbose=4,
/
It will calculate 100 frames in all?
thanks again.
On 07/17/2015 09:51 PM, Jason Swails wrote:
> I think it should be 100. In older versions of MMPBSA.py, the endframe would be applied separately to each trajectory. But now it treats all frames as one long trajectory and applies endframe to that set of frames.
>
> HTH,
> Jason
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Received on Sun Jul 19 2015 - 23:30:02 PDT
