added conda envirnoment info

added solvation analyses

added analysis utilities

fixed device entry

reorder lines

anisotropic barostat (since amber solvation creates non-cubic rectangular boxes)

option for dispersion correction

fixed header description

added explicit solvent support; prototype omm .xml force field driver

added initial implicit solvent script; also provide command line entry point

dispatch script for general cmdln entry

added general dispatch entry point

correct PDBradii setting for implicit solvent tleap

added default igb and saltcon for minimization

added cmdln entrypoint for tleap.py