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Computational Design of Soft Materials
Polymers, liquid crystals, colloids, and more
Tutorials
Linux tutorial
Mathematica Tutorial from
the Milner Group at Penn State
GROMACS Manual
GROMACS Tutorial from the Milner Group at Penn State
GROMACS Tutorial from the Lemkul Group at Virgia Tech
How to submit jobs to the Discovery Cluster:
CPU jobs
,
GPU jobs
LAMMPS Manual
Softwares and Tools
Tools for generating initial configurations and topology files for simulations
Avogadro
Packmol
Moltemplate
CHARMM-GUI
United-Atom TraPPE
Simulation packages
GROMACS
LAMMPS
HOOMD-blue
Gaussian
and
GaussView
Visualization tool
VMD
Free energy sampling tools
PLUMED
WHAM
Chemical Databases
Virtual Chemistry
NIST Chemistry WebBook
Writing tools
Latex
Overleaf for Latex