Re: [AMBER] unexpected missing parameters for protein atoms?

From: Matthew Guberman-Pfeffer <>
Date: Fri, 30 Jul 2021 10:35:41 -0400

Hello Vaibhav,

> Can you please suggest which tools can be used to create selected mutants
> automatically (via command-line) which can then be used in tleap to
> generate files for MD and subsequently analysis?

I think you’ll find a script for the Modeller program very useful: <>.
I had a similar question over a year ago for a high-throughput mutagenesis project and this solution worked quite nicely.


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Received on Fri Jul 30 2021 - 08:00:02 PDT
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