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From Computational Biophysics and Materials Science Group
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- Access Combo with any IP
- Access to Ganglia
- CUDA C
- Calculate cumulative contribution
- Calculate g(r) and R(t) C Code by zhefeng
- Calculate radial distribution function
- CatDCD
- CatPDB
- Combo Mini Guest System
- Combo through VNC
- Computing resources
- Create Private Page
- Dmol3
- Dr. Jun Fan
- Dr. WEN, Haohua
- Draw Corase-grained Sites
- Geguang
- Generate TRR file (Python)
- Get Started
- Get one frame of the DCD
- Get periodic boundary condition of the DCD
- Grab links of list of keywords
- Gromacs/Acceleration and parallelization
- Group Policy
- Hechen Li
- How To
- How to Access Combo
- How to Connect to Combo Mini VPN
- How to Transfer Files between Combo
- How to analysis trajectories with Gromacs
- How to calculate RMSD and RMSF
- How to calculate pair distance, angles and dihedrals
- How to compile Gromacs
- How to do MDFF
- How to do standard MD analysis
- How to get the unit cell parameters
- How to install PyMOL
- How to make ED-CG work
- How to make a2cg work
- How to make images for publication using VMD
- How to make movies in VMD
- How to make share folder
- How to process Umbrella Sampling in GROMACS
- How to run a regular NPT simulation
- How to submit jobs on Combo
- How to use Combo
- How to use Git
- How to use MPI
- How to utilize computational resources
- How to write code for 3D FFT in parallel processors
- Huanbo Jiang
- Instruction on plotting with Matlab and standard requirements
- Jiale Ma
- Journal & web links
- Mac + XQuatz or Linux
- Main Page
- Members
- Messed up the torque config
- My:Group
- OpenMPI and InfiniBand
- PBS job script for Parallel OPENMPI
- Plot 1D Density
- Plot 3D Vectors in arrows
- Plot 3D mode vectors in VMD
- Ploting 2D Density Colorful
- Progress:Jiale
- Progress:Kevin
- Progress:Xinhong
- Progress:Yonghui
- Progress:Yufeng
- Progress:Zhen
- Progress:Zhiyao
- Projects
- Putty+XMing
- Sample header for your scripts
- Schedule
- Shutdown HTTPD after restart COMBO
- Spinodal Decomposition 3D Cuda C Code
- Spinodal Decomposition C++ Code
- Spinodal Decomposition C++ Code by Yufeng
- Spinodal Decomposition C Code by zhefeng
- Spinodal Decomposition Cuda C Code
- TCL Combine trajectories
- TCL Write a pdb
- Test
- Tricks in Cygwin
- Tricks in Gromacs
- Tricks in Linux
- Tricks in MATLAB
- Tricks in VMD
- Tricks in bash
- Useful
- Useful VMD-L Mailing List Threads
- Websites for new PhD students (University Stuff)
- Weekly Report Template
- Yonghui Zhang
- Zhe Feng
- Zhen Li
- Zhiyao Xie