George A. Pantelopulos

I am a post-doctoral scholar working under the supervision of Robert Best and the Laboratory of Chemical Physics at NIH/NIDDK.

I recently completed my PhD with John E. Straub of the Boston University Chemistry Department. My new focus is on modeling of collagen and the extracellular matrix with atomistic accuracy with a focus toward reproduction of multiscale mechanics. This website is used to occasionally catalogue write-ups on theory, analysis, and software for sharing with colleagues.

OpenMM Tutorial

less than 1 minute read

I post the slides and tutorial scripts for an introductory OpenMM tutorial intended to showcase OpenMM’s features (and, by necessity, complexity).

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This tutorial was run on December 2, 2019 for the Sugita group.

The tutorial files (without output) can be found here https://github.com/gpantel/MD_methods-and-analysis/blob/master/OpenMM_Tutorial

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