On Sun, Feb 07, 2021, Alan wrote:
>I've only noticed that now in ambertools 2020, perhaps that happened years
>ago, but my tleap scripts used to have:
>
>source oldff/leaprc.ff99SB
>...
>source oldff/leaprc.ff99bsc0
>Which now throws an error.
Looks like a bug to me. I've submitted a fix for the upcoming AmberTools21.
Thanks for the report.
Is there a command to "unload" or "unsource" loaded parameters?
No.
>For now I've just broken my one script in several scripts, which is fine
>but, still, it would be nice to know more about it.
Just hoping here that you have a good reason to be using such outdated force
fields.
...dac
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Received on Mon Feb 08 2021 - 07:00:02 PST
