It's usually not a good idea to use gaff for amino acids, the link across
the monomers will mix force fields and be challenging to get right. Is
there a reason that existing parameters don't work for you? I quick search
showed that several labs (such as Pande) have developed hydroxy proline
parameters for Amber.
On Apr 23, 2016 8:01 AM, "Mijiddorj Batsaikhan" <b.mijiddorj.gmail.com>
wrote:
Dear users,
I would like to build parameters for hydroxyproline residue, but some
torsion angles do not recognized gaff and parm10 parameters.
Can you advice me? Thanks.
Mijiddorj
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Received on Sat Apr 23 2016 - 06:00:04 PDT
