On Tue, Feb 13, 2018, Lee-Ping Wang wrote:
>
> PS: I can’t find the pysander documentation, so if anyone knows where it
> is please let me know.
Please see Section 17.13 in the Amber 2017 Reference Manual.
Although various pages in the Manual refer to pysander (and to pytraj),
neither of these are actually programs: rather they refer to python import
modules. Somewhat confusingly, the import library is called "sander", not
"pysander".
(Lee-Ping: since you already know about "import sander", I don't think you
have anything more to learn....)
(Hai, Jason: please correct the above if I am wrong. But if someone as
experienced as Lee-Ping is getting confused, this suggests we should really
fix up the manual. If you do a search on "pysander" in the Manual, there are
a number of hits that seem to suggest that pysander and pytraj are programs.
And note that seemingly similar things like pytleap and pymdpbsa really *are*
standalone python drivers.)
....dac
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Received on Tue Feb 13 2018 - 10:00:04 PST
