This is something I was always wondering... It is certainly true that the FF
ist the same if you have an all-L or an all-R peptide/protein, but what when
you combine R and L in one system? Probably the effects are small and also
small compared to the general force field errors, but is it really
rigorously true?
Best,
Th
--
Diese Nachricht wurde von meinem Android Mobiltelefon mit GMX Mail gesendet.
Am 22.10.18, 15:46, Mijiddorj B <b.mijiddorj.gmail.com> schrieb:
Dear Carlos,
Thank you very much for the helpful reply.
Best regards,
Miji
On Sat, Oct 20, 2018 at 7:11 PM Carlos Simmerling <
carlos.simmerling.gmail.com> wrote:
> You can use the same force field as for L-Phe. This is a conformational
> difference, not a chemical one, and our parameters in ff14SB will work
for
> both. Other force fields may or may not.
>
> On Sat, Oct 20, 2018, 12:54 AM Mijiddorj B <b.mijiddorj.gmail.com>
wrote:
>
> > Dear AMBER users,
> >
> > I would like to simulate a system that contains D-phenylalanine
residue.
> Is
> > there any possible force field? Please advice me any possible chance.
> >
> > Best regards,
> > Miji
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > [1]http://lists.ambermd.org/mailman/listinfo/amber
> >
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> [2]http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
[3]
http://lists.ambermd.org/mailman/listinfo/amber
References
1.
http://lists.ambermd.org/mailman/listinfo/amber
2.
http://lists.ambermd.org/mailman/listinfo/amber
3.
http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 23 2018 - 14:30:02 PDT
