no, there is no such thing as ff14SBildn. Trying to combine these would
likely create serious problems. ff14SB includes specific training for all
amino acid side chains, not just I, L, D and N.
If you are interested in the details, I suggest reading the ff14SB paper,
which discusses ff99SBildn.
On Sat, Sep 16, 2023 at 5:14 PM Midhun K Madhu 1620103 via AMBER <
amber.ambermd.org> wrote:
> Hello all,
>
> I am trying to generate a parameter file using tleap that utilizes the
> AMBER ff14SB force field with ildn modifications. Additionally, I need to
> parameterize the TIP3P water model with Joung-Cheatham parameters. I'm
> considering the following commands:
>
> source leaprc.protein.ff14SB
> loadamberparams frcmod.ff99SBildn
> source leaprc.water.tip3p
>
> Specifically, I'm wondering if there is a corresponding frcmod.ff14SBildn
> file that should be used in conjunction with leaprc.protein.ff14SB?
>
> with regards,
>
> --
>
> *MIDHUN K MADHU*
> Ph.D Student
> Dept. of Biological Sciences
> IISER Bhopal
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Sat Sep 16 2023 - 16:30:02 PDT
