Difference between revisions of "Tutorials"
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(Created page with "== GROMACS Tutorials == [http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/free_energy/index.html A very useful tutorial] for calculating free energies in ...") |
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For tutorial for earlier versions of Gromacs, see our original tutorial on [http://www.dillgroup.ucsf.edu/group/wiki/index.php?title=Free_Energy:_Tutorial methane insertion in water]. | For tutorial for earlier versions of Gromacs, see our original tutorial on [http://www.dillgroup.ucsf.edu/group/wiki/index.php?title=Free_Energy:_Tutorial methane insertion in water]. | ||
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| + | For tutorials for 4.6.2 versions of GROMACS, [[GROMACS 4.6 example: Direct ethanol solvation free energy|instructions on how to run this calculation with GROMACS 4.6]] using standard free energy calculations, or using [[GROMACS 4.6 example: Ethanol solvation with expanded ensemble|using expanded ensemble simulations]]. | ||
== AMBER Tutorials == | == AMBER Tutorials == | ||
Revision as of 11:56, 18 June 2013
GROMACS Tutorials
A very useful tutorial for calculating free energies in GROMACS 4.5.3 by Justin Lemkul.
For tutorial for earlier versions of Gromacs, see our original tutorial on methane insertion in water.
For tutorials for 4.6.2 versions of GROMACS, instructions on how to run this calculation with GROMACS 4.6 using standard free energy calculations, or using using expanded ensemble simulations.