Got it. Thanks for your help.
---------------------------------------------------------------------
Indrajit Deb
Kolkata, India.
Mob: +919239202278
On Tue, May 22, 2012 at 3:34 AM, David Condon <dec986.gmail.com> wrote:
> 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
> > > > _______________________________________________
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> > > > http://lists.ambermd.org/mailman/listinfo/amber
> > > >
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> > >
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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
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Received on Mon May 21 2012 - 15:30:04 PDT
