Dear Lachele,
Actually, we want to use GLYCAM_06 in AMBER12 not GLYCAM_06h.
Is it possible to use GLYCAM_06 in amber12 ?
Very very Thanks
On Sun, Jan 13, 2013 at 12:18 AM, Lachele Foley (Lists)
<lf.list.gmail.com>wrote:
> Urszula was correct, but if you need a more complete approach, you can use:
>
> source leaprc.GLYCAM_06h
>
> If curious, you can see the contents of $AMBERHOME/dat/leap/cmd for
> the available leaprc files.
>
>
> On Fri, Jan 11, 2013 at 11:32 PM, Subrata Paul <paul.subrata34.gmail.com>
> wrote:
> > Thanks
> >
> > But, we want to use ff99SB and GLYCAM_06.
> > So, How we load GLYCAM_06 in amber12 ?
> >
> > On Fri, Jan 11, 2013 at 8:38 PM, Lachele Foley (Lists) <
> lf.list.gmail.com>wrote:
> >
> >> We started versioning our releases to facilitate reproducibility.
> >>
> >> If you are simulating certain glycoproteins or want to use ff12SB, you
> >> might need even more recent parameters. Get those files from
> >> glycam.org/params
> >>
> >>
> >> On Fri, Jan 11, 2013 at 5:27 AM, Urszula Uciechowska
> >> <urszula.uciechowska.chem.umu.se> wrote:
> >> > In Amber12 you have glycam_06h
> >> > you can load it in leap by typing:
> >> > params = lodamberparams GLYCAM_06h.dat
> >> >
> >> > /Urszula
> >> >
> >> > Urszula Uciechowska, Ph.D.
> >> > Department of Chemistry
> >> > Umeå University
> >> > SE-901 87 Umeå, Sweden
> >> > urszula.uciechowska.chem.umu.se
> >> > ________________________________________
> >> > Von: Subrata Paul [paul.subrata34.gmail.com]
> >> > Gesendet: Freitag, 11. Januar 2013 11:03
> >> > An: AMBER Mailing List
> >> > Betreff: [AMBER] Glycam_06 in amber12
> >> >
> >> > Dear Amber User,
> >> >
> >> > Can we use GLYCAM_06 force field in amber12 ?
> >> > If possible, How ?
> >> > --
> >> > *With Best Regards
> >> > Subrata
> >> > PhD Student
> >> > Dept of Chemistry.
> >> > IIT G
> >> > *
> >> > _______________________________________________
> >> > 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
> >>
> >>
> >>
> >> --
> >> :-) Lachele
> >> Lachele Foley
> >> CCRC/UGA
> >> Athens, GA USA
> >>
> >> _______________________________________________
> >> AMBER mailing list
> >> AMBER.ambermd.org
> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
> >
> >
> >
> > --
> > *With Best Regards
> > Subrata
> > PhD Student
> > Dept of Chemistry.
> > IIT G
> > *
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
>
>
> --
> :-) Lachele
> Lachele Foley
> CCRC/UGA
> Athens, GA USA
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
*With Best Regards
Subrata
PhD Student
Dept of Chemistry.
IIT G
*
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Received on Mon Jan 14 2013 - 00:00:02 PST
