Thank you Professor David !
On Thu, May 17, 2018 at 5:32 PM, David A Case <david.case.rutgers.edu>
wrote:
> On Thu, May 17, 2018, DHEERAJ CHITARA wrote:
> >
> >
> > We are currently having academic license of AMBER 8 / AMBER 12 and
> > currently using ff99SB for our Protein-RNA Ligand Complex. We wish to use
> > AMBER ff14SB and GAFF to improve and refine the result.
> >
> > Can you please help me find the link from where I can download the
> > necessary files for AMBER ff14SB and GAFF (recent version) along with the
> > installation instructions.
>
> Please visit http://ambermd.org/GetAmber.php, and download AmberTools18.
> The files you will need are in the amber18/dat/leap folder, and
> instructions are in Chapters 3 and 15 of the Reference Manual.
>
> Note: you should point your $AMBERHOME variable to amber18 directory
> where you extracted AmberTools, and put $AMBERHOME/bin in your PATH.
> When you need to use pmemd, use its full path (something like
> /path/to/amber12/bin/pmemd.)
>
> Also note that force field file naming changed back in 2016: you will
> need to load separate protein, RNA, and water files, depending on which
> force field you want. See the manual for complete instructions.
>
> ...good luck....dac
>
>
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>
--
----
Dheeraj Chitara
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Received on Thu May 17 2018 - 05:30:03 PDT
