To my knowledge there is no Amber-to-CHARMM converter (chamber will work
the other way around).
Your best bet is probably to use ambpdb to create a PDB file, then use some
other tool to create a PSF from there. You may also be able to do the
whole thing in VMD, but I've never tried.
It may also be worth posting this question on the CHARMM forums.
HTH,
Jason
On Thu, Jun 13, 2013 at 8:42 PM, Manikanthan Bhavaraju <
manikanthanbhavaraju.gmail.com> wrote:
> Dear All,
>
> I am testing a new software for performing protein-ligand entropy
> calculations in the torsional space. The software needs the .top and .crd
> files in CHARMM's format. We generally use Amber for most of our MD
> simulations. Is there a script or program which can convert the Amber's
> .prmtop and .inpcrd files into CHARMM's format. Any help is really
> appreciated.
>
> Thanks,
> mani
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Jun 13 2013 - 18:30:03 PDT
