Laboratory of Molecular & Thermodynamic Modeling

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Free Programs, Molecular Coordinates, & Files

Below is a list of free files to download. Please reference our lab if you use these in any public form, i.e., publications or presentations.


Molecular Coordinates

Model Membranes (CHARMM36-based coordinates)

CHARMM36 FF (Note: If you run these simulations in NAMD you MUST use NAMD 2.7b3 or newer versions with vdwForceSwitching turned on)


CHARMM Par/top Files

Klauda Lab Wiki