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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Received on Mon May 21 2012 - 14:30:04 PDT
