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
> >
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Received on Mon May 21 2012 - 15:00:02 PDT
