Thank you sir for your reply.
But could I use ff14SB in AMBER12 ?
Also is there any problem in using GLYCAM06h with ff99SB-ILDN ?
With regards,
Saikat
On Sun, Oct 23, 2016 at 5:44 AM, David A Case <
dacase.scarletmail.rutgers.edu> wrote:
> 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
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Saikat Dutta Chowdhury
Email: pbr322.dutta.gmail.com
Mob:
8017650842
9681144106
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Oct 22 2016 - 20:00:02 PDT
