HI Dan,
This will be useful to look at such an email for once a month.
Thank you for your efforts.
——
Jatin Kashyap
Ph.D. Student
Dr. Dibakar Datta Group
Department of Mechanical and Industrial Engineering
New Jersey Institute of Technology (NJIT)
University Heights
Newark, NJ 07102-1982
Phone- (201)889-5783
Email- jk435.njit.edu
> On 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
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Mar 19 2021 - 04:00:03 PDT
