Wednesday, November 21, 2012

Access VirtualBox Shared Folder from Ubuntu 12.04 Guest Machine

 from:
http://www.liberiangeek.net/2012/05/access-virtualbox-shared-folder-from-ubuntu-12-04-precise-pangolin-guest-machine/


Using VirtualBox? And do you want to access shared folders on the host machine from the guest machine which has Ubuntu on it? Well, this brief tutorial is going to show you how to do that. This is a perfect way to get file located on the host machine to the guest machine which in this case is a Ubuntu machine.
This tutorial was done using Windows 7 as my host machine and Ubuntu 12.04 as the guest. Also, make sure you have access to the folder you’re sharing, or it won’t work.

Objectives:
  • Access shared folders on the host from the guest machine using VirtualBox
  • Enjoy!
To get started, select the virtual machine to wish to configure then click ‘Settings’ and select the shared folder on the left menu. Click ‘Add’ the select the the folder to share.

virtualbox_shared_folder_precise

Login to Ubuntu and run the commands below to add your user account into VirtualBox account group.
sudo adduser <username> vboxsf

virtualbox_shared_folder_precise_1

Next, logout or restart your computer and go to the /media/ folder to access the shared folder.

virtualbox_shared_folder_precise_2

Enjoy!

Sunday, November 4, 2012

How to generate LAMMPS data file with force field parameters

http://sunghoedwardkim.blogspot.sg/2011/04/how-to-generate-lammps-data-file-with.html

To make LAMMPS data file using pdb file in VMD,

1. load pdb file (or any molecule configuration file) in VMD

2. in VMD command line, type
topo writelammpsdata filename type
# type : full, atomic, etc..

3. a data file with filename is created in VMD folder




To make LAMMPS data file with force field parameters, "msi2lmp", a LAMMPS tool (/tools/msi2lmp/) can be used.

1. build msi2lmp
make   in /tools/msi2lmp/src/

2. msi2lmp.exe, force field file (e.g., cvff.frc), car and mdf files should be in same directory.
msi2lmp.exe rootname -class I -frc force_field_name
# rootname.cat
# rootname.mdf
# -class I (e.g, cvff), -class II (e.g., CFFx)
# -frc cvff   (cvff.frc)