I am getting result when i tried with5 frames with GB and PB
On Tue, Feb 18, 2020 at 7:09 PM David A Case <david.case.rutgers.edu> wrote:
> On Tue, Feb 18, 2020, Sruthi Sudhakar wrote:
>
> >The job started running but it has been stuck in the following line for
> >like 3 hours.
> >28001 frames were processed by cpptraj for use in calculation.
>
> Try running a sample calculation with something like 5 frames, to make
> sure everything is working OK. Here on the list, we don't know anything
> about what options you chose for the MM/PBSA calculation, nor do we know
> anything about how large your system is. So people here are unlikely to
> be able to offer much real help. Start with the simplest and fastest
> calculations (e.g. GB only, no PB), then slowly add more complexit and more
> frames.
>
> ...dac
>
>
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Received on Tue Feb 18 2020 - 07:00:02 PST
