Dear Marc:
thank you very much for kind reply.
Does anybody knows when the membrane protein tutorial would be
released? I've finished built a membrane system with g_membed and I am
looking forward to this tutorial. It seems that it is delayed for some time.
best
Albert
On 04/30/2012 10:20 AM, Marc van der Kamp wrote:
> 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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>>
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Received on Mon Apr 30 2012 - 12:30:02 PDT
