Sir,
My major doubt is whether OL15 forcefield and ff99bsc0εζ OL1 forcefield are
the same??
On 17 Sep 2020 09:05, "David Cerutti" <dscerutti.gmail.com> wrote:
> In order to source a nucleic acids force field you will state, in your
> leaprc, things like this:
>
> source leaprc.DNA.OL15
> source leaprc.RNA.OL3
>
> For DNA< you have choices of bsc1 and OL15--I am almost certain that those
> are substantially different, but check the literature from Cheatham group.
> For RNA, you have LJbb, OL3, ROC, Shaw, and YIL options. I cannot advise
> you on one model or another in this respect, but look in each of the leaprc
> files (located in ${AMBERHOME}/dat/leap/cmd/leaprc.[RD]NA.(option), and
> you
> should see lines like "loadOff DNA.OL15.lib" and "parm10 = loadAmberParams
> parm10.dat." The latter tells it to use torsion parameters from parm10, a
> central collection of valence terms from our protein force fields. You
> will find parm##.dat files in ${AMBERHOME}/dat/leap/parm/, and .lib
> (library) files in ${AMBERHOME}/dat/leap/lib/.
>
> HTH,
> Dave
>
>
> On Wed, Sep 16, 2020 at 9:12 AM Jenny 148 <jenny.rs140.gmail.com> wrote:
>
> > Dear all,
> > The question might be really trivial. I would like to know if the OL15
> > forcefield and ff99bsc0εζ OL1 forcefield are the same. If not what is the
> > difference. And how to source ff99bsc0εζ OL1? Thank you for your time.
> >
> > --
> > Jenny R.S
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> >
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Received on Wed Sep 16 2020 - 21:30:02 PDT
