#29189: gromacs 4.5.1 installation error ---------------------------------+------------------------------------------ Reporter: jimmymisc@… | Owner: adfernandes@… Type: defect | Status: new Priority: Normal | Milestone: Component: ports | Version: 1.9.2 Keywords: | Port: gromacs ---------------------------------+------------------------------------------ Comment(by jimmymisc@…): OK, apologies for the silly comment above. Turns out I just need to install FFTW-3-single for gromacs and FFTW-3-long for gromacs-double. After that, gromacs and gromacs-double can be installed without problem. What is left now is to figure out how to run gromacs program (pdb2gmx etc) from the directory where my molecules are sitting at.. tips ? Thank you -- Ticket URL: <https://trac.macports.org/ticket/29189#comment:3> MacPorts <http://www.macports.org/> Ports system for Mac OS