Re: [AMBER] DNA Tutorial B1 - Temperature Drop

From: David Case <david.case.rutgers.edu>
Date: Wed, 3 May 2017 08:37:42 -0400

On Wed, May 03, 2017, Johannes Kalliauer wrote:
>
> The Reason for the Temperature Drop was answered by Hannes Loeffler, it
> was due to the fact that ntx=7 was used and it was a NetCDF-File,
> changeing to ntx=5 solved the problem.

OK: I apparently have to revise my earlier reply about ntx=7: we need to
create a bugfix to make this input value illegal (unless someone knows about
a use case that is still needed.)

....dac


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Received on Wed May 03 2017 - 06:00:03 PDT
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