On Mon, 2014-05-12 at 11:05 +0400, James Starlight wrote:
> Brent,
> Many thanks for suggestions!
> Also I wounder to know if some non-standard residues (for example hem) has
> been already included in one of the existing amber's param sets ?
You can see the different libraries that are provided in
$AMBERHOME/dat/leap/lib.
You may also be interested in 3rd-party parameter databases, such as the
one maintained at
http://www.pharmacy.manchester.ac.uk/bryce/amber/ and
the R.E.D. Database (
http://q4md-forcefieldtools.org/REDDB/index.php).
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon May 12 2014 - 05:00:03 PDT
