Re: [AMBER] is there a second methods to use CHARMM FF in amber?

From: Albert <>
Date: Mon, 30 Apr 2012 21:29:10 +0200

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.


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<> 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
>> _______________________________________________
>> AMBER mailing list
> _______________________________________________
> AMBER mailing list

AMBER mailing list
Received on Mon Apr 30 2012 - 12:30:02 PDT
Custom Search