Updated parameters for the GLYCAM-06h set are available at glycam.org/params
GLYCAM_06h-1.dat
* Provides parameters for amino-acid N-linking that are compatible
with the new atom-type naming convention (these are not new params,
just renamed)
* Add parameters for tighter integration with ff12SB (these
incorporate new 12SB params where appropriate)
* Note that differences in atom type names allow us to use this
same file for ff12 and ff12SB
GLYCAM_amino*_06h-1.lib
* Amino acid libraries for ff12 and other versions with compatible
atom-type names
GLYCAM_amino*_06h-12SB.lib
* Amino acid libraries for integration with ff12SB
leaprc.GLYCAM_06h-12SB
leaprc.GLYCAM_06h-1
* Leaprc files to facilitate use of the files mentioned above.
Please see also the documentation at the site.
The older versions are, as always, still available.
Neither of the online builders currently makes use of these newest
parameters. We will post here when that changes.
--
:-) Lachele
Lachele Foley
CCRC/UGA
Athens, GA USA
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Received on Mon Oct 29 2012 - 11:30:03 PDT
