[AMBER] Building Amber14 with -nofftw3

From: Lawrenz, Morgan <mlawrenz.amgen.com>
Date: Fri, 12 Sep 2014 16:45:26 +0000

Hi all,
What are the ramifications of building amber - serial or parallel - without fftw (i.e. the -nofftw3 flag for configure)?
I see that it "disables RISM and the FFT solver in pbsa," so does this only affect mmpb/gbsa calculations? Not standard MD?
I will need both, and installation with that flag is the only one successfully compiling for me right now.

Thanks for the help!
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Received on Fri Sep 12 2014 - 10:00:02 PDT
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