On Fri, Jan 27, 2023, amber-developers-bounces.ambermd.org wrote:
>I set up a few simulations in good old Xleap now and found it pretty much
>exactly as I remembered, good parts and bad. While such consistency is
>admirable, if there are newer and more continuously developed alternatives,
>I'd love to look at them...
Carlos mentioned Cando, from Chris Schafmeister (author of LEaP itself).
But it can be hard to find, since if one Googles on "schafmeister cando" you
get to pages on the Schafmeister group at Temple that are years out of date
:-(
Here is the current link:
https://github.com/cando-developers
It installs as a conda package, and works ("kind-of"), but you really have
to have bought into using jupyter notebbooks. A few months ago, I was not
able to get this to work myself, sent an email to Chris and Michael
Yonkunas, but didn't get any replies.
Still, it's under active development, and the cando-user-install script was
updated only two weeks ago. So maybe things are better now.
....regards...dave
p.s.: tleap actually does what it does remarkably well, and is very
lightweight. It's a key part of *many* workflows, and is not going away any
time soon.
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Received on Fri Jan 27 2023 - 11:00:03 PST
