Hi,
I also got the 1.frcmod.parmCEZ.parmbsc.parmBETA from Yildirim 2012 paper
(supporting material). Will you please let know where did you got the
2. *residues.parmCEZ.parmbsc.lib
file.
Thanks
--indrajit
*
---------------------------------------------------------------------
Indrajit Deb
Kolkata, India.
Mob: +919239202278
On Tue, May 22, 2012 at 3:36 AM, Indrajit Deb <biky2004indra.gmail.com>wrote:
> 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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>> >
>>
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Received on Mon May 21 2012 - 15:30:04 PDT
