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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Received on Thu May 17 2018 - 05:30:02 PDT
