Hi Albert,
I don't think there is, at least not for when you want the true CHARMM FF
(i.e. potential energy function, including e.g. Urey-Bradley terms and CMAP
corrections).
If your problem is that you don't have access to CHARMM, then you could use
psfgen from VMD (free of course) to generate a CHARMM-style PSF ("writepsf
charmm mypsf.psf"), and use that for CHAMBER.
--Marc
On 30 April 2012 06:42, Albert <mailmd2011.gmail.com> wrote:
> hello:
>
> I am would like to use CHARMM FF in AMBER and I found from the manual
> that we can only convert from CHARMM format into Amber FF. I am
> wondering is there any alternative way in AMber could use CHARMM FF?
> eg: convert GROMACS/Desmond system into Amber format? Or, use something
> like FF file in tleap?
>
> thank you very much
> Albert
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Received on Mon Apr 30 2012 - 01:30:02 PDT
