Re: [AMBER] What is the most modern AMBER parm/top format?

From: Thomas Cheatham <>
Date: Fri, 22 Jan 2016 10:23:30 -0700 (MST)

> > What is the most modern AMBER parameter/crd file format?
> ​prmtop/inpcrd is still the standard (and we still use the tleap program
> you wrote all those years ago to generate them ;)).

Jason's appendix is fairly clear; big changes from the past are that the
prmtop format is extensible and that order doesn't matter (although it
does for some parsers so as Jason notes, best to append new stuff -- if
required -- to the end of the file).

For restrt, the gold standard is the netcdf formats for restrt and
trajectory (noting that these too are effectively extensible).


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Received on Fri Jan 22 2016 - 09:30:04 PST
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