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-- Mengjuei Hsieh, Molecular Biology & Biochem, Univ. of California Irvine. > From: Jason Swails <jason.swails.gmail.com> > My personal vote here is to either not post the post-processor to amber or > keep it undocumented or something. If you guys made tleap do it, people should > just use that. This seems like a strange stance coming from someone pushing a > plethora of prmtop utilities, but the more we just create additional programs > to avoid hacking leap, the more hopelessly complex it will be for a user to > set up a prmtop "correctly". Especially if/when multiple utilities have to be > used together in a specific order! My vote is to do whatever possible to > include stuff in leap itself, and on top of that maybe create a little utility > (GUI and CL?) that unifies the other utilities in a common wrapper to simplify > the process of post processing a topology file. _______________________________________________ AMBER-Developers mailing list AMBER-Developers.ambermd.org http://lists.ambermd.org/mailman/listinfo/amber-developersReceived on Thu Apr 28 2011 - 22:30:03 PDT