[AMBER] Updates to mdinfo with amber 22

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From: Greenberg, Jerry via AMBER <amber.ambermd.org>
Date: Wed, 30 Nov 2022 21:46:26 +0000

Hi,

I realize mdinfo lags behind the output file during dynamics runs (I’m using pmemd.MPI and pmemd.cuda.MPI) , but with amber 22 I am not seeing any updates to mdinfo after the first iteration no matter what ntpr is set to.

The energy updates in the output file are updating according to what ntpr is, but mdinfo is never updated even after the run is finished.

Thanks,

Jerry
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Received on Wed Nov 30 2022 - 14:00:02 PST