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 - 15:00:03 PDT
