On Sun, Jul 26, 2020, 辛志宏 wrote:
>
>I extract the last frame (499 frames) of the equil pdb outfile as the
>QM-MM input file, and regenerate prmtop and Inpcrd file, but I found that
>the BOX coordinates in the inpcrd file are gone,
Something went wrong here, and you should investigate. You don't say how you
extracted the last frame, nor how you regenerated the prmtop and incrd file.
But if you do that correctly, the box information should not be lost.
...dac
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Received on Sun Jul 26 2020 - 18:00:04 PDT
