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@danielSoler93 danielSoler93 released this 19 Oct 12:05
· 2050 commits to master since this release
1.1.0
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Learn about vigilant mode.

V1.1.0

  • Automatic Platform to automatically launch PELE&adaptivePELE. It creates the forcefield parameters, the control files, the PELE input.pdb and finally launch the simulation.

  • Flexibility to include MSM and Frag PELE

  • Flexibility to include analysis scripts

  • Flexibility to include PELE modes

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