[gmx-users] How to provide the FFTW3 install directory

Mirco Wahab mirco.wahab at chemie.tu-freiberg.de
Tue Apr 1 17:36:26 CEST 2014


On 01.04.2014 17:12, Ly Minh Nhat wrote:
> When I type which mdrun in the terminal, it does nothing
>
> ooker at ooker-Aspire-4741:~$ which mdrun
> ooker at ooker-Aspire-4741:~$

Did you
  (a) install gromacs after build?

  (b) load environment variables after install
      $> source /usr/local/gromacs/bin/GMXRC
      see: "Getting access to GROMACS after installation"
      in 
http://www.gromacs.org/Documentation/Installation_Instructions_4.5#Final_Installation

M.




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