A web based graphical interface for Molecular Dynamics package - gromacs with guiding documentation for each step, custom mdp generator and project management.
PHP JavaScript CSS Shell
Switch branches/tags
Nothing to show
Clone or download
Fetching latest commit…
Cannot retrieve the latest commit at this time.
Permalink
Failed to load latest commit information.
_css
_images
_js
admin
config
docs
exec
install
projects/NA
protocols
tools
README.md
README.txt
auth.php
command.php
home.php
index.php
protein-drg-min.php
protein-min.php
sanitise.sh

README.md

RSQUARE GROMACS GUI

Written in PHP, MySQL, Supports Gromacs 4.5x

Last updated : July-11-2014 https://www.youtube.com/watch?v=D-eGTacHMvU&feature=youtu.be

Installation Requirements:

  1. Linux Machine - Does not work in windows or simulated versions of Linux
  2. LAMP (Linux, Apache , MySQL) server installed.
  3. PHP 5.x is prefered.
  4. WebBrowser: Firefox 9 or above, Chrome 15 or above.

Installation Procedure:

  1. Make sure gromacs is installed, simplest way to install(in CentOS/Fedora) is using the command
$sudo yum install gromacs gromacs-openmpi (For Redhat , Fedora versions)
$sudo apt-get install gromacs (For Debain, Ubuntu versions)

NOTE: install a repository that provides gromacs 2. untar the .tar.gz into the /var/www/html/ or to the root folder of your LAMP(Linux Apache MySQL PHP) server.

$tar -xvzf bngromacs.tar.gz
$cd bngromacs/
#cp -Rf * /var/www/html/
  1. Access the URL "http://localhost/install/", Enter the details of your server and submit the form, download the 'config.php' file that is obtained after the succesful submission of the server details.
  2. Test the BnGromacs installation by accessing the URL 'http://localhost/test/', if there are any errors/warnings, please rectify them. (Now the database is succesfully configured)
  3. grant the permission 777 or 644 to the files.
#chroot -Rf 777 /var/www/html/
  1. Create a new user using the register panel and enjoy the tool :)

[Note: # is root user, $ regular user]