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: http://ambermd.org/antechamber/example.html. 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
