Dear Dan,
Thank you for the summary. This was definitely useful.
Sincerely,
*An T. Ta *
Department of Chemistry | Ph.D. Candidate
Coolbaugh Hall | Room 118
Golden, CO 80401
On Fri, Mar 19, 2021 at 1:29 AM aishen.free.fr <aishen.free.fr> wrote:
> Thank you very much I could not build amber20 ath the moment, but I did
> it with cpptraj pytraj Mdtraj, excellent !
>
> Best
>
> Henri
>
> Le 19/03/2021 à 00:52, Gustavo Seabra a écrit :
> > Hi Dan,
> >
> > This is (as always) great work. Thanks! And yes, I'd vote to keep the
> news
> > coming!
> >
> > All the best,
> > --
> > Gustavo Seabra.
> >
> >
> > 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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> >> http://lists.ambermd.org/mailman/listinfo/amber
> >>
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> > http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Fri Mar 19 2021 - 04:00:03 PDT
