Scripts for creating input files and running NAMD simulations on cgc docker image
the initial pdb/psf files need to be tested before input into the pipeline to ensure topology/parameter files are appropriate
Autodock results feed log file into autodockEnergy.pl to create table of results concatenate into master table for analysis
adjust names of struct and drugs run pdbqt2pdbCONC_SCAFFOLD.pl
run script in results folder (for now)