Re: [AMBER] obtain or build parameters for non-natural residues

From: FyD <fyd.q4md-forcefieldtools.org>
Date: Wed, 25 May 2016 09:09:19 +0200

Dear Aline,

> I am looking for .lib or .frcmod files for amber for two non-natural residues
> as gamma-carboxylic glutamic acid (GLA) and beta-hydroxy-aspartate
> residues (BHA),
> could not find anything on the archive, or from any website (PTM,
> NCAA, Bryce lab...)

See http://q4md-forcefieldtools.org/REDDB/

> would you have any helping advice for obtaining them
> or for building them de novo ? never done that,

RED Server is outdated - please, use RED Server Development...

See http://q4md-forcefieldtools.org/REDServer-Development/
  Tutorials:
  & http://upjv.q4md-forcefieldtools.org/Tutorial/Tutorial-4.php
  & http://upjv.q4md-forcefieldtools.org/Tutorial/Tutorial-4.php#25
  vs http://upjv.q4md-forcefieldtools.org/Tutorial/Tutorial-4.php#26

regards, Francois


           F.-Y. Dupradeau
                 ---
http://q4md-forcefieldtools.org/FyD/


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Received on Wed May 25 2016 - 00:30:03 PDT