On Fri, Jan 22, 2016 at 10:58 AM, Christian Schafmeister <
drschafmeister.gmail.com> wrote:
> Hi everyone - I’ve been away from AMBER for a while.
>
> What is the most modern AMBER parameter/crd file format?
>
> If I were writing code to generate input files for AMBER - what format
> would you recommend?
>
prmtop/inpcrd is still the standard (and we still use the tleap program
you wrote all those years ago to generate them ;)).
The format has been updated within the last decade or so, and there are
several tools out there to write prmtops. The spec at
http://ambermd.org/formats.html is still up-to-date (and there's a more
detailed version in the appendix of my dissertation on ResearchGate).
All the best,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Jan 22 2016 - 09:30:03 PST
