Hi Vlad,
Yes we have done some tests using opc3, nothing published yet. For peptides
the match to experiment degrades a little compared to opc, but better than
tip3p. I don't have more specifics since I am at the ACS meeting this week.
Carlos
On Mon, Mar 27, 2023, 10:01 AM Vlad Cojocaru via AMBER <amber.ambermd.org>
wrote:
> Dear all,
>
> Does anyone have experience with using the ff19SB force field with the
> OPC3 water model ? If yes, could you comment briefly on accuracy
> compared to the recommended ff19SB+OPC but also ff14SB+TIP3P ? A
> literature search did not get me too far in answering this. Any relevant
> reference I may have missed would also be very much appreciated.
>
> Thanks a lot for any insights
>
> Best wishes
> Vlad
>
> --
> Dr. Vlad Cojocaru (PD, Habil.)
> ----------------------------------------------
> Guest Scientist / Fmr. Project Group Leader
> Max Planck Institute for Molecular Biomedicine
> Röntgenstrasse 20, 48149 Münster, Germany
> ----------------------------------------------
> Email: vlad.cojocaru.mpi-muenster.mpg.de
> http://www.mpi-muenster.mpg.de/43241/cojocaru
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Mar 27 2023 - 07:30:03 PDT
