From: David A Case <>
Date: Tue, 18 Feb 2020 08:39:31 -0500

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


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Received on Tue Feb 18 2020 - 06:00:03 PST
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