Re: [gmx-users] Gromacs Installation

1. Seems the default fftw configuration is double, when you install the fftw-3.2.2 configure with --enable single. 2. about your question:I wanted to ask if I can download gromacs in my home directory using the ubuntu software center or synaptic manager? 1] You can download in your home

Re: [gmx-users] add force field

I do believe so. ^_^ it works beautifully with the newly-added force field. Thanks, lina On Wed, Feb 9, 2011 at 5:11 PM, Mark Abraham mark.abra...@anu.edu.auwrote: On 9/02/2011 7:47 PM, lina zhao wrote: Hi, it works before I thought it might share some similarity with 4.0.7 which some

[gmx-users] add force field

Hi, Anyone has successfully tried to add some new force field in the default force field (in 4.5) so pdb2gmx can show up the (newly-added) force field which will also be recognized by gromacs, Thanks, lina -- gmx-users mailing listgmx-users@gromacs.org

Re: [gmx-users] dssp problem

http://biskit.pasteur.fr/install/applications/dssp wget ftp://ftp.cmbi.ru.nl/pub/molbio/software/dsspcmbi.zip unzip dsspcmbi.zip cd dssp ./DsspCompileGCC cd .. sudo mv dssp /usr/local/src/ cd /usr/local/bin sudo ln -s ../src/dssp/dsspcmbi . lina On Sat, Dec 25, 2010 at 8:45 PM, Mark