On Tue, Jul 30, 2024, 百毒不侵√ via AMBER wrote:
> I have top and crd files for proteins. Now I need to output
>all positive values,.what command can be uesd to generate pdb files with
>all positive coordinates.
You could use the translate action in cpptraj to move the entire system to
have only positive coordinates.
But I'd encourage you to think hard about why this is needed: I don't know
what problem you see with negative coordinates, but forcing them all to be
positive sounds like a fragile "solution".
...dac
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Received on Tue Jul 30 2024 - 21:00:02 PDT
