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Free Energy Tools

CANDO - graphical interface for building some Amber systems and TI calculations
This softare is an environment for building functional molecules and materials. It is based off of LEaP, and uses extended Leap syntax, making it compatible with existing scripts and software. By THIRDLAW Technologies.

DDBoost - build TI calculations and analyze output
This tutorial describes alternative ways of building a membrane system for molecular dynamics simulations within Amber, with the optional additions of an embedded protein and ligands. By Stephan Schott-Verdugo.

"How's that for maxed out?"

Last modified: Jul 25, 2023