On Mon, Sep 23, 2013, Jan-Philip Gehrcke wrote:
>
> It seems to be the default that a MAP/translation rule must be available
> for every single atom listed in a 7/8-column makeDIST_RST input file. I
> don't need this translation. Is there a way to *not* use atom name
> mapping when running makeDIST_RST?
Not currently. Having the default be to have every atom match itself is
on my to-do list. Code patches are welcome.
Now that we more or less require Amber users to have python, things like this
could be written in a scripting language. I would re-write this in Perl, but
that's because I yam what I yam.
(The original motivation, from Garry Gippert, was to be aggressive in finding
typos in input data. I'm not sure that was ever such a good idea, but there
it is.)
...dac
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Received on Mon Sep 23 2013 - 10:00:04 PDT
