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-- 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 > > _______________________________________________ > 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/amberReceived on Thu Mar 18 2021 - 17:00:02 PDT