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
> _______________________________________________
> 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 Wed Sep 16 2020 - 21:00:02 PDT
