Hello, thanks for your reply.
actually I couldn't find my mdin file. it was deleted by the
administrator of the server after the job was finished.But I copied all
files from the tutorial I mentioned above. I am doing multiple runs.
David A Case <david.case.rutgers.edu>, 7 Haz 2020 Paz, 04:07 tarihinde şunu
yazdı:
> On Sun, Jun 07, 2020, Erdem Yeler wrote:
>
> >Dear Carlos and David here is my mdinfo file:
>
> Carlos wanted your *mdin* (input) file, not the mdinfo file. And Dave's
> request for the actual arguments you gave to sander (or pmemd) is a good
> one. Are you do multiple runs, or seeming something odd every 500 steps
> of a single run?
>
> ....dac
>
>
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Received on Sun Jun 07 2020 - 14:30:02 PDT
