Hi Dan,
many thanks for your efforts!
The future updates are welcome.
Sincerely
Nick
On Thu, Mar 18, 2021 at 12:44 PM Daniel Roe <daniel.r.roe.gmail.com> wrote:
> 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 Fri Mar 19 2021 - 13:00:02 PDT
