On Fri, Mar 11, 2022, Daniel Konstantinovsky wrote:
>I think all that is happening is that tleap translates the system to a new
>center. I have confirmed that the original waters are still there by
>aligning to the original structure. I'm just writing this for future people
>who have this problem so they see that it's ok.
Good catch. You can disable such behavior by issuing a "set default
nocenter on" command to tleap before doing anything that creates a periodic
system.
....dac
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Received on Fri Mar 11 2022 - 09:00:02 PST
