On Tue, Jan 05, 2021, Юлия Беляева wrote:
>
>I have an issue with command tinker_to_amber: "No box information in XYZ or
>.key file"
The error message looks correct: I don't see any box information in your xyz
or key files.
Look at the example in
amber20_src/AmberTools/src/gem.pmemd/build_amoeba/examples/JAC (assuming
you are using AmberTools20). It shows how to set the box size in the key
file.
...hope this helps....dac
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Received on Fri Jan 08 2021 - 07:00:03 PST
