[AMBER] GLYCAM 06h and 06EPb

From: Lachele Foley (Lists) <"Lachele>
Date: Thu, 26 Apr 2012 14:38:39 -0400

Parameters for GLYCAM 06h and 06EPb are available on the web:

    These are the same parameters that are available in AmberTools12.

Notable changes:

* Many atom type names have changed; therefore, these files cannot be
mixed with earlier versions of 06 or 06EP. However, these files
should maintain better orthogonality to other force fields. That is,
it should no longer matter the order in which you load files.

* The entries in the prep databases have been expanded considerably,
and many entries that previously gave build problems have been
repaired. To the best of our knowledge, all of them work properly

Known issues:

* The N- and O- linking files (GLYCAM_amino*) can be used with all
recent protein parameter sets, but they do not make use of the atom
typing and associated parameter updates in parm10/ff12SB. Note that
this only affects the linking amino acid and not any other residues.
These files are still fully compatible with parm94/99 and ff99SB.
06h-1 files will be released soon that are consistent with ff12SB.
They are being tested now. If you would like to be an early tester
for these changes, email me or glycam.gmail.com

Please see the documentation, available at the site above, for full information.

Apologies for the late updates to the web site.

:-) Lachele
Lachele Foley
Athens, GA USA
AMBER mailing list
Received on Thu Apr 26 2012 - 12:00:05 PDT
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