On Thu, 2014-02-06 at 16:19 +0530, Hanna Thamleena wrote:
> We have installed amber 12 successfully. But it is not clear how to install
> the codes given in src folder of ambertools and amber12.
> So we are not able to check the performance of codes like sander. It would
> be very helpful if we obtain a detailed description of the installation of
> these codes.
This question is very confusing. I'm not sure what you mean by "we have
installed amber 12 successfully." Did you compile it (i.e., did you
follow instructions like the ones here:
http://jswails.wikidot.com/installing-amber12-and-ambertools-13)? Or is
'installing' just untarring the tarballs so you have an amber12
directory?
If you compiled Amber 12 according to those instructions, it compiles
everything in the src/ and AmberTools/src directories automatically (in
fact, that IS Amber; Amber is simply a collection of programs). You can
modify compiler optimization flags in the config.h file created in
$AMBERHOME by the configure script and recompile if you want to test out
different options.
Installing individual components can be done through the existing system
of Makefiles, but I would suggest that this is a somewhat advanced
topic. The Makefile's have basic syntax and use only basic features of
GNU 'make' so hopefully it will be easy to pick up what is happening
just by groking the Makefile (provided you know how to read them).
HTH,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Feb 06 2014 - 05:30:02 PST
