This problem is resolved sir thanks
On Sep 24, 2017 2:30 AM, "David A Case" <david.case.rutgers.edu> wrote:
> On Fri, Sep 22, 2017, Rana Rehan Khalid wrote:
> >
> > I prepared the protein ligand system prmtop and inpcrd files following
> the
> > antechamber tutorial these command I use
>
> ....
>
> everything look fine up to here.
>
> >
> > After that I ran the simulation by using sander it ran but when i tried
> it
> > to run on the cluster by using pmemd it gives error message
> > Unit 9 Error on OPEN: hbay.inpcrd
> > PMEMD TERMINATED ABNORMALLY
>
> My guess is that you are making some silly mistake in the options you are
> giving to pmemd, since sander runs fine. Assuming the test cases work OK
> for pmemd, then operator error by far the most likely explanation. Since
> only you know what command-line options you used, only you can find the
> error.
>
> Check your pmemd command vs. the sander command, character by character if
> necessary.
>
> ....dac
>
>
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Received on Sat Sep 23 2017 - 15:00:05 PDT
