I renamed the residues file since gmail won't let me send anything ending
in .lib.
On Mon, May 21, 2012 at 5:43 PM, Indrajit Deb <biky2004indra.gmail.com>wrote:
> Thank you very much. Can you please provide me the files:
>
> 1) frcmod.parmCEZ.parmbsc.parmBETA
> 2) residues.parmCEZ.parmbsc.lib
>
> Thanks again.
>
> ---indrajit
>
>
>
> ---------------------------------------------------------------------
> Indrajit Deb
> Kolkata, India.
> Mob: +919239202278
>
>
> On Tue, May 22, 2012 at 2:51 AM, David Condon <dec986.gmail.com> wrote:
>
> > Hi Indrajit,
> >
> > Here is one tleap file I used to load the AMBER99Tor force field, where
> it
> > needs the files:
> >
> > 1) frcmod.parmCEZ.parmbsc.parmBETA
> > 2) residues.parmCEZ.parmbsc.lib
> > 3) some pdb (here caau.s.syn.pdb)
> >
> > source oldff/leaprc.rna.ff99
> > > addAtomTypes {
> > > { "C1" "C" "sp2" }
> > > { "C2" "C" "sp2" }
> > > { "C3" "C" "sp2" }
> > > { "C4" "C" "sp2" }
> > > { "OZ" "O" "sp2" }
> > > { "CI" "C" "sp2" }
> > > }
> > > loadamberparams frcmod.parmCEZ.parmbsc.parmBETA
> > > loadoff residues.parmCEZ.parmbsc.lib
> > > mol = loadpdb caau.s.syn.pdb
> > > addions mol Na+ 0
> > > solvateoct mol TIP3PBOX 8.65
> > > saveamberparm mol prmtop inpcrd
> > > quit
> > >
> >
> > Does this help?
> > -Dave
> >
> > On Mon, May 21, 2012 at 4:21 PM, Indrajit Deb <biky2004indra.gmail.com
> > >wrote:
> >
> > > Hi, AMBER users,
> > >
> > > Can anyone provide me the AMBER99TOR and AMBER99EZ force field and the
> > > instruction how to load it in tLEAP ? AMBER12 does not provide these
> > force
> > > fields.
> > >
> > >
> > > Thanks in advance.
> > >
> > >
> > >
> > > ---------------------------------------------------------------------
> > > Indrajit Deb
> > > Kolkata, India.
> > > Mob: +919239202278
> > > _______________________________________________
> > > 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
> >
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Received on Mon May 21 2012 - 15:30:03 PDT
