Tabulated Monte Carlo for proteins, using CHARMM 19 force field and either vacuum or distance-dependent dielectric (epsilon = k*r).

tablemc-proteins-3-26-14c/ and tablemc-proteins-4-24-16/

Source files, header files and compilation script for the codes used for Spiriti and Zuckerman, JCTC 10, 5161 (2014).

tablemc-proteins-8-23-14/

Contains some minor bug fixes (including a fix to the improper dihedral term) that do not impact the published results. This code should be used as a basis for developing further efforts in tabulated Monte Carlo.

tablemc-proteins-gb-4-22-15/

An attempt at integrating a Generalized Born implicit solvent model with the tables. This code is not complete and did not work as well as I had hoped. It has its own usage instructions.

table-generation/

Scripts needed for table generation, including reference geometry files for fragments.

check/

A set of scripts for testing the code on peptides containing all 20 amino acids.

tablemc-proteins.pdf

Documentation covering usage.

tablemc-proteins-internals.pdf

Documentation covering internal operations.