DOCK 3.7 with GIST tutorials: Difference between revisions
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To | To dock with GIST, you must generate gist grids using molecular dynamics to generate a trajectory and then post process it with cpptraj. | ||
* [[Tutorial on running Molecular | * [[Tutorial on running Molecular Dynamics for GIST grid generation]] | ||
* [[Tutorial on running Molecular Dynamics for GIST grid generation with scripts]] | |||
* [[Tutorial on running DOCK3.7 with GIST]] | * [[Tutorial on running DOCK3.7 with GIST]] | ||
* [[Tutorial on running DOCK3.7 with blury-GIST]] | |||
More information and tutorials, see [[DOCK_3.7]]. |
Latest revision as of 19:56, 15 November 2017
To dock with GIST, you must generate gist grids using molecular dynamics to generate a trajectory and then post process it with cpptraj.
- Tutorial on running Molecular Dynamics for GIST grid generation
- Tutorial on running Molecular Dynamics for GIST grid generation with scripts
- Tutorial on running DOCK3.7 with GIST
- Tutorial on running DOCK3.7 with blury-GIST
More information and tutorials, see DOCK_3.7.