Hi All,
Here are some recent improvements/enhancements that have been made to
GitHub CPPTRAJ:
03-15-2021: Version 5.1.0. Enhance the performance of the
'permutedihedrals' and 'randomizeions' commands.
03-04-2021: CPPTRAJ's configure can now automatically download and
build external libraries if desired.
02-27-2021: Version 5.0.6. Add the ability to change the default
random number generator (new command, 'random').
02-11-2021: Version 5.0.5. Add 'sscalc' keyword to 'nastruct' action
to tell 'nastruct' to calculate parameters between consecutive bases
in strands.
02-01-2021: Version 5.0.4. Add new command 'flatten'; can convert 1 or
more matrices into 1D array(s) by summing or averaging elements.
I keep a list of these changes along with links to the relevant pull
requests on the CPPTRAJ GitHub wiki page
(
https://github.com/Amber-MD/cpptraj/wiki) but I thought it might be
useful if I sent out a summary email like this every now and then
listing some of the more recent changes.
Please let me know if you find this useful. If enough people think it
is helpful I can try to do this once every month or two. However, if
this is just noise I don't want to crowd everyone's inbox.
-Dan
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Received on Thu Mar 18 2021 - 10:00:02 PDT
