Re: [AMBER] Parameters for non-standard residues

From: David A Case <>
Date: Mon, 18 Oct 2021 15:54:06 -0500

On Mon, Oct 18, 2021, Nagar, Hemant wrote:

>I want to generate force field parameters for nonstandard residues .

Aargh: the Amber tutorial pages on this subject are not as helpful as they
should be. While it would be great to make a completely new tutorial, two
existing pages are rather hard to find:

1. Tutorial 5.3 is the main "standard" tutorial for making a modified amino
acid. But it is listed under "Introductory case studies", and needs a
cross-link under "Developing non-standard parameters".

2. Although they are quite old, the original antechamber tutorials are still
very helpful: Look at example
2, "Generate residue topology files for non-standard amino-acid residues".

I'm hoping Maria can add making some new links to here webpage "to-do" list.

...good luck...dac

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Received on Mon Oct 18 2021 - 14:00:03 PDT
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