Dear all,
I tried to compile ambertools using "./configure gnu", but when I enter "make install" command, it comes out many error related to fftw3. so I recompile it with "./configure -nofftw3 gnu", and this time "make install" command seems successful, and "make test" all passed. However, does anyone know what is the effect of the "-nofftw3" flag on ambertools function? Would it affects the input parameter file preparation and makes similation fail? By using the .top and .crd files prepared by ambertools, I find the simulation system collapsed rapidly during minimization. Is it related to the fftw3 problem? Thanks!
Yeping Sun
Institute of Microbiology, Chinese Academy of Sciences
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Received on Sun Sep 01 2013 - 21:00:02 PDT
