[AMBER] ntx and irest

From: David A Case <david.case.rutgers.edu>
Date: Thu, 2 Jul 2020 07:55:35 -0400

On Wed, Jul 01, 2020, Jatin Kashyap wrote:

> NTX / IREST inconsistency
> ntx=1, ! Positions and velocities read formatted
> irest=1, ! Restart calculation

This is expected: restarts require velocities; setting ntx=1 says that
you don't have velocities.

....dac

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Received on Thu Jul 02 2020 - 05:00:03 PDT
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