Preparing Membrane Protein Systems for AMBER Using Dabble

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Setting up membrane protein systems for molecular dynamics simulation can be a pain, especially when using membrane protein builders designed for other software packages.

I’m happy to announce the release of Dabble, a membrane protein builder and parameterizer that is designed to be forcefield agnostic. Currently it supports both AMBER and CHARMM parameter sets, and eliminates many problems with system setup, including issues with atom naming!