On Sat, Oct 22, 2016, Saikat Dutta chowdhury wrote:
>
> I have a peptide which contains a HYP (hydroxyproline) residue. I wanted to
> use ff99SB-ILDN force field and using AMBER12 package. But when I tried to
> create the peptide molecule using tleap module I found out that it is
> unable to recognize the HYP residue. So I searched for possible answers and
> found out that GLYCAM06h has HYP parameters.
ff14SB also has HYP parameters (just for HYP and CHYP right now, but you
could make an NHYP starting with HYP). Note that the side-chain torsion
improvements added in the "ILDN" model are also present in ff14SB (not
as identical parameters, but the changes in side chain behavior are very
similar.)
....dac
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Received on Sat Oct 22 2016 - 17:30:02 PDT
