On Mon, Jun 27, 2022, CHEN Huifeng via AMBER wrote:
>
>Recently I met some problem when using REMD with Amber, I create all the
>needed files through CHARMMGUI, and can successfully running normal type
>of md, however when I change to REMD, the system showed this error (Unit 5
>Error on OPEN: mdin)
This means that the Amber program could not find (or did not have permission
to open) the mdin file itself. It never go to the point of trying to
interpret its contents.
Check the command-line arguments you are using, and the files in your
folder.
....dac
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Received on Thu Aug 04 2022 - 13:33:32 PDT
