Re: [gmx-users] Normal Mode Analysis with Gromacs 4.6

Hello Everyone， I'm confused about Normal Mode Analysis of Gromacs. I have googled a lot but find little useful. My Gromacs was installed in a Linux cluster. Follows is my steps to do normal mode analysis: • pdb2gmx -ignh -ff < forcefield > -f -o mut.gro -p topol.top • editconf -f mut.gro

[gmx-users] Normal Mode Analysis with Gromacs 4.6

Hello Everyone， I'm confused about Normal Mode Analysis of Gromacs. I have googled a lot but find little useful. My Gromacs was installed in a Linux cluster. Follows is my steps to do normal mode analysis: • pdb2gmx -ignh -ff < forcefield > -f 1SHS mutated.pdb -o mut.gro -p topol.top • editconf

Re: [gmx-users] Compiling GROMACS with fftw3

Thank you Justin for your remind. I have typed exactly *CMAKE_PREFIX_PATH=/path/to/fftw3/ cmake .. -DGMX_DOUBLE=ON -DGMX_INSTALL_PREFIX=/path/to/gromacs* I wish the *-DGMX_INSTALL_PREFIX=/path/to/gromacs* will make the gromacs being installed at */path/to/gromacs* after *make make install* Bu

Re: [gmx-users] Compiling GROMACS with fftw3

I am currently dealing with a new problem. That is I could not specify the path to install the gromacs. As I am not on the sudoer list, I must specify a home directory. According to the installation guide, cmake .. -DGMX_INSTALL_PREFIX=/path/to/install should work, but it does not. Hope anyone

Re: [gmx-users] Compiling GROMACS with fftw3

Thank you so much for your reply, vansh. I have solved the problem by recompiling fftw3 library with ./configure --enable-shared. -- View this message in context: http://gromacs.5086.x6.nabble.com/Compiling-GROMACS-with-fftw3-tp5012628p5012637.html Sent from the GROMACS Users Forum mailing list