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For the complete documentation index, see llms.txt. This page is also available as Markdown.

Using VFVS

The usage of VFVS is the same as the usage of VirtualFlow in general, which is described here.

In addition for VFVS the input-files folder has to be prepared set up as described here.

All specific options/features which one can activate/configure in VFVS are described in the control file tools/templates/all.ctrl, where the values for all of them can be specified. These options/features include the setting up of the docking scenarios to be used:

  • Number of docking scenarios

  • Docking programs to be used

  • Number of replicas per docking scenario

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