Re: [AMBER] interpreting paramfit results

From: David A Case via AMBER <>
Date: Fri, 16 Sep 2022 11:18:55 -0400

On Thu, Sep 15, 2022, Robin Betz via AMBER wrote:
>Also I am not sure why paramfit was officially deprecated but as the
>original author, I'm happy to continue answering questions about it on this

I'm not sure either how/why the "deprecated" idea arose. In some ways, mdgx
offers more flexibility, but also (my somewhat uninformed view here) a
steeper learning curve.

For some jobs, paramfit might be just the ticket, and we all are grateful to
Robin for help in using it. I'll work to get the documentation back into the
Reference Manual; the code is still being built by default in AmberTools.


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Received on Fri Sep 16 2022 - 08:30:05 PDT
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