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 dir

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 Abraham

[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 http://lists.gromacs.org/mailman/list

Re: [gmx-users] add force field

Hi, it works before I thought it might share some similarity with 4.0.7 which some bash file helps to update the ff information. Thanks, lina On Wed, Feb 9, 2011 at 4:02 PM, David van der Spoel wrote: > On 2011-02-09 08.56, lina zhao wrote: > >> Hi, >> >> Anyone h

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 wrote: > 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