Re: [AMBER] Single Point Energy: sander x python sander

From: David A Case <>
Date: Fri, 14 Jan 2022 08:20:38 -0500

On Fri, Jan 14, 2022, Alan wrote:

>I'm using gitpod from

No! Don't do this. This is not sander itself, although it should give
equivalent results. As the README states, this code is in very active
development. I think you hit the problem that the --no-rism and --no-netcdf
flags are not working. The current HEAD would now say that these flags
(pluss --no-boost) are not recognized.

You want AmberTools from


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Received on Fri Jan 14 2022 - 05:30:02 PST
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